N-[(E)-1-(4-dodecylphenyl)ethylideneamino]-1-methyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(E)-1-(4-dodecylphenyl)ethylideneamino]-1-methyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(E)-1-(4-dodecylphenyl)ethylideneamino]-1-methyl-pyridin-1-ium-3-carboxamide CAS Name: N-[(E)-1-(4-dodecylphenyl)ethylideneamino]-1-methyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(E)-1-(4-dodecylphenyl)ethylideneamino]-1-methylpyridin-1-ium-3-carboxamide Traditional Name: N-[(E)-1-(4-laurylphenyl)ethylideneamino]-1-methyl-pyridin-1-ium-3-carboxamide Formula: C27H40N3O+ MolecularWeight: 422.626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C(=NNC(=O)C2=C[N+](=CC=C2)C)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)/C(=N/NC(=O)C2=C[N+](=CC=C2)C)/C

InChI

InChI=1S/C27H39N3O/c1-4-5-6-7-8-9-10-11-12-13-15-24-17-19-25(20-18-24)23(2)28-29-27(31)26-16-14-21-30(3)22-26/h14,16-22H,4-13,15H2,1-3H3/p+1/b28-23+