N-(5-chloranyl-2-methoxy-phenyl)-1-(phenylmethyl)pyridin-1-ium-4-carboxamide chloride

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-1-(phenylmethyl)pyridin-1-ium-4-carboxamide chloride Openeye Name: 1-benzyl-N-(5-chloro-2-methoxy-phenyl)pyridin-1-ium-4-carboxamide chloride CAS Name: N-(5-chloro-2-methoxyphenyl)-1-(phenylmethyl)-4-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-benzyl-N-(5-chloro-2-methoxyphenyl)pyridin-1-ium-4-carboxamide chloride Traditional Name: 1-benzyl-N-(5-chloro-2-methoxy-phenyl)pyridin-1-ium-4-carboxamide chloride Formula: C20H18Cl2N2O2 MolecularWeight: 389.27512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=[N+](C=C2)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=[N+](C=C2)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H17ClN2O2.ClH/c1-25-19-8-7-17(21)13-18(19)22-20(24)16-9-11-23(12-10-16)14-15-5-3-2-4-6-15;/h2-13H,14H2,1H3;1H