1-methyl-N-[(E)-[(2E)-2-(phenylmethylidene)heptylidene]amino]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-methyl-N-[(E)-[(2E)-2-(phenylmethylidene)heptylidene]amino]pyridin-1-ium-3-carboxamide Openeye Name: N-[(E)-[(2E)-2-benzylideneheptylidene]amino]-1-methyl-pyridin-1-ium-3-carboxamide CAS Name: 1-methyl-N-[(E)-[(2E)-2-(phenylmethylene)heptylidene]amino]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(E)-[(2E)-2-benzylideneheptylidene]amino]-1-methylpyridin-1-ium-3-carboxamide Traditional Name: N-[(E)-[(E)-2-amyl-3-phenyl-prop-2-enylidene]amino]-1-methyl-pyridin-1-ium-3-carboxamide Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC1=CC=CC=C1)C=NNC(=O)C2=C[N+](=CC=C2)C

Isomeric SMILES

CCCCC/C(=C\C1=CC=CC=C1)/C=N/NC(=O)C2=C[N+](=CC=C2)C

InChI

InChI=1S/C21H25N3O/c1-3-4-6-12-19(15-18-10-7-5-8-11-18)16-22-23-21(25)20-13-9-14-24(2)17-20/h5,7-11,13-17H,3-4,6,12H2,1-2H3/p+1/b19-15+,22-16+