2-[(E,3Z)-3-[3-[(Z)-(3-ethyl-1H-benzo[e]indol-2-ylidene)methyl]-5,5-dimethyl-cyclohex-2-en-1-ylidene]prop-1-enyl]-6-methoxy-3-(2-naphthalen-2-yloxyethyl)-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(E,3Z)-3-[3-[(Z)-(3-ethyl-1H-benzo[e]indol-2-ylidene)methyl]-5,5-dimethyl-cyclohex-2-en-1-ylidene]prop-1-enyl]-6-methoxy-3-(2-naphthalen-2-yloxyethyl)-1,3-benzothiazol-3-ium Openeye Name: 2-[(E,3Z)-3-[3-[(Z)-(3-ethyl-1H-benzo[e]indol-2-ylidene)methyl]-5,5-dimethyl-cyclohex-2-en-1-ylidene]prop-1-enyl]-6-methoxy-3-[2-(2-naphthyloxy)ethyl]-1,3-benzothiazol-3-ium CAS Name: 2-[(E,3Z)-3-[3-[(Z)-(3-ethyl-1H-benzo[e]indol-2-ylidene)methyl]-5,5-dimethyl-1-cyclohex-2-enylidene]prop-1-enyl]-6-methoxy-3-[2-(2-naphthalenyloxy)ethyl]-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E,3Z)-3-[3-[(Z)-(3-ethyl-1H-benzo[e]indol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-6-methoxy-3-(2-naphthalen-2-yloxyethyl)-1,3-benzothiazol-3-ium Traditional Name: 2-[(E,3Z)-3-[3-[(Z)-(3-ethyl-1H-benz[e]indol-2-ylidene)methyl]-5,5-dimethyl-cyclohex-2-en-1-ylidene]prop-1-enyl]-6-methoxy-3-[2-(2-naphthoxy)ethyl]-1,3-benzothiazol-3-ium Formula: C46H45N2O2S+ MolecularWeight: 689.9267

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=CC(=CC=CC3=[N+](C4=C(S3)C=C(C=C4)OC)CCOC5=CC6=CC=CC=C6C=C5)CC(C2)(C)C)CC7=C1C=CC8=CC=CC=C78

Isomeric SMILES

CCN1/C(=C\C2=C/C(=C\C=C\C3=[N+](C4=C(S3)C=C(C=C4)OC)CCOC5=CC6=CC=CC=C6C=C5)/CC(C2)(C)C)/CC7=C1C=CC8=CC=CC=C78

InChI

InChI=1S/C46H45N2O2S/c1-5-47-37(28-41-40-15-9-8-13-35(40)18-21-42(41)47)26-33-25-32(30-46(2,3)31-33)11-10-16-45-48(43-22-20-38(49-4)29-44(43)51-45)23-24-50-39-19-17-34-12-6-7-14-36(34)27-39/h6-22,25-27,29H,5,23-24,28,30-31H2,1-4H3/q+1