methyl 1-[9-[3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]indol-1-yl]nonyl]pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 1-[9-[3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]indol-1-yl]nonyl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 1-[9-[3-[(E)-3-methoxy-3-oxo-prop-1-enyl]indol-1-yl]nonyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[9-[3-[(E)-3-methoxy-3-oxoprop-1-enyl]-1-indolyl]nonyl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[9-[3-[(E)-3-methoxy-3-oxoprop-1-enyl]indol-1-yl]nonyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[9-[3-[(E)-3-keto-3-methoxy-prop-1-enyl]indol-1-yl]nonyl]pyridin-1-ium-3-carboxylic acid methyl ester Formula: C28H35N2O4+ MolecularWeight: 463.5885

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CN(C2=CC=CC=C21)CCCCCCCCC[N+]3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

COC(=O)/C=C/C1=CN(C2=CC=CC=C21)CCCCCCCCC[N+]3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C28H35N2O4/c1-33-27(31)17-16-23-22-30(26-15-9-8-14-25(23)26)20-11-7-5-3-4-6-10-18-29-19-12-13-24(21-29)28(32)34-2/h8-9,12-17,19,21-22H,3-7,10-11,18,20H2,1-2H3/q+1/b17-16+