3-ethyl-2-[(Z)-(1-heptyl-3,3-dimethyl-indol-2-ylidene)methyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-ethyl-2-[(Z)-(1-heptyl-3,3-dimethyl-indol-2-ylidene)methyl]-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-2-[(Z)-(1-heptyl-3,3-dimethyl-indolin-2-ylidene)methyl]-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-2-[(Z)-(1-heptyl-3,3-dimethyl-2-indolylidene)methyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-2-[(Z)-(1-heptyl-3,3-dimethylindol-2-ylidene)methyl]-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-2-[(Z)-(1-heptyl-3,3-dimethyl-indolin-2-ylidene)methyl]-1,3-benzothiazol-3-ium Formula: C27H35N2S+ MolecularWeight: 419.6452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=CC=CC=C2C(C1=CC3=[N+](C4=CC=CC=C4S3)CC)(C)C

Isomeric SMILES

CCCCCCCN\1C2=CC=CC=C2C(/C1=C/C3=[N+](C4=CC=CC=C4S3)CC)(C)C

InChI

InChI=1S/C27H35N2S/c1-5-7-8-9-14-19-29-22-16-11-10-15-21(22)27(3,4)25(29)20-26-28(6-2)23-17-12-13-18-24(23)30-26/h10-13,15-18,20H,5-9,14,19H2,1-4H3/q+1