[4-[naphthalen-2-yl-(phenylmethyl)carbamoyl]pyridin-1-ium-1-yl]methyl ethanoate chloride

Systemtic Name: [4-[naphthalen-2-yl-(phenylmethyl)carbamoyl]pyridin-1-ium-1-yl]methyl ethanoate chloride Openeye Name: [4-[benzyl(2-naphthyl)carbamoyl]pyridin-1-ium-1-yl]methyl acetate chloride CAS Name: acetic acid [4-[[2-naphthalenyl-(phenylmethyl)amino]-oxomethyl]-1-pyridin-1-iumyl]methyl ester chloride IUPAC Name: [4-[benzyl(naphthalen-2-yl)carbamoyl]pyridin-1-ium-1-yl]methyl acetate chloride Traditional Name: acetic acid [4-[benzyl(2-naphthyl)carbamoyl]pyridin-1-ium-1-yl]methyl ester chloride Formula: C26H23ClN2O3 MolecularWeight: 446.92542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC[N+]1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)C3=CC4=CC=CC=C4C=C3.[Cl-]

Isomeric SMILES

CC(=O)OC[N+]1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)C3=CC4=CC=CC=C4C=C3.[Cl-]

InChI

InChI=1S/C26H23N2O3.ClH/c1-20(29)31-19-27-15-13-23(14-16-27)26(30)28(18-21-7-3-2-4-8-21)25-12-11-22-9-5-6-10-24(22)17-25;/h2-17H,18-19H2,1H3;1H/q+1;/p-1