N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]-1-(phenylmethyl)pyridin-1-ium-4-carboxamide chloride

Systemtic Name: N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]-1-(phenylmethyl)pyridin-1-ium-4-carboxamide chloride Openeye Name: 1-benzyl-N-[(E)-(4-benzyloxyphenyl)methyleneamino]pyridin-1-ium-4-carboxamide chloride CAS Name: N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]-1-(phenylmethyl)-4-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-benzyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide chloride Traditional Name: N-[(E)-(4-benzoxybenzylidene)amino]-1-benzyl-pyridin-1-ium-4-carboxamide chloride Formula: C27H24ClN3O2 MolecularWeight: 457.95136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)OCC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C(=O)N/N=C/C3=CC=C(C=C3)OCC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C27H23N3O2.ClH/c31-27(25-15-17-30(18-16-25)20-23-7-3-1-4-8-23)29-28-19-22-11-13-26(14-12-22)32-21-24-9-5-2-6-10-24;/h1-19H,20-21H2;1H