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

Systemtic Name: 1-methyl-N-[(E)-[(2E)-2-(phenylmethylidene)octylidene]amino]pyridin-1-ium-3-carboxamide Openeye Name: N-[(E)-[(2E)-2-benzylideneoctylidene]amino]-1-methyl-pyridin-1-ium-3-carboxamide CAS Name: 1-methyl-N-[(E)-[(2E)-2-(phenylmethylene)octylidene]amino]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(E)-[(2E)-2-benzylideneoctylidene]amino]-1-methylpyridin-1-ium-3-carboxamide Traditional Name: N-[(E)-[(E)-2-hexyl-3-phenyl-prop-2-enylidene]amino]-1-methyl-pyridin-1-ium-3-carboxamide Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O/c1-3-4-5-7-13-20(16-19-11-8-6-9-12-19)17-23-24-22(26)21-14-10-15-25(2)18-21/h6,8-12,14-18H,3-5,7,13H2,1-2H3/p+1/b20-16+,23-17+