N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]-1-(phenylmethyl)pyridin-1-ium-3-carboxamide chloride

Systemtic Name: N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]-1-(phenylmethyl)pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-benzyl-N-[(E)-(4-benzyloxyphenyl)methyleneamino]pyridin-1-ium-3-carboxamide chloride CAS Name: N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]-1-(phenylmethyl)-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-benzyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridin-1-ium-3-carboxamide chloride Traditional Name: N-[(E)-(4-benzoxybenzylidene)amino]-1-benzyl-pyridin-1-ium-3-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=CC(=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=CC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)OCC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C27H23N3O2.ClH/c31-27(25-12-7-17-30(20-25)19-23-8-3-1-4-9-23)29-28-18-22-13-15-26(16-14-22)32-21-24-10-5-2-6-11-24;/h1-18,20H,19,21H2;1H/b28-18+;