7-[4-[(E,3Z)-3-(3-methyl-6-nitro-3H-1-benzothiophen-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]heptan-2-one

Systemtic Name: 7-[4-[(E,3Z)-3-(3-methyl-6-nitro-3H-1-benzothiophen-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]heptan-2-one Openeye Name: 7-[4-[(E,3Z)-3-(3-methyl-6-nitro-3H-benzothiophen-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]heptan-2-one CAS Name: 7-[4-[(E,3Z)-3-(3-methyl-6-nitro-3H-1-benzothiophen-2-ylidene)prop-1-enyl]-1-quinolin-1-iumyl]-2-heptanone IUPAC Name: 7-[4-[(E,3Z)-3-(3-methyl-6-nitro-3H-1-benzothiophen-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]heptan-2-one Traditional Name: 7-[4-[(E,3Z)-3-(3-methyl-6-nitro-3H-benzothiophen-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]heptan-2-one Formula: C28H29N2O3S+ MolecularWeight: 473.60646

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=CC=CC3=CC=[N+](C4=CC=CC=C34)CCCCCC(=O)C

Isomeric SMILES

CC\1C2=C(C=C(C=C2)[N+](=O)[O-])S/C1=C\C=C\C3=CC=[N+](C4=CC=CC=C34)CCCCCC(=O)C

InChI

InChI=1S/C28H29N2O3S/c1-20(31)9-4-3-7-17-29-18-16-22(25-11-5-6-12-26(25)29)10-8-13-27-21(2)24-15-14-23(30(32)33)19-28(24)34-27/h5-6,8,10-16,18-19,21H,3-4,7,9,17H2,1-2H3/q+1/b10-8+,27-13-