[4-[2-[naphthalen-2-yl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-1-yl]methyl ethanoate

Systemtic Name: [4-[2-[naphthalen-2-yl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-1-yl]methyl ethanoate Openeye Name: [4-[2-[benzyl(2-naphthyl)amino]-2-oxo-ethyl]pyridin-1-ium-1-yl]methyl acetate CAS Name: acetic acid [4-[2-[2-naphthalenyl-(phenylmethyl)amino]-2-oxoethyl]-1-pyridin-1-iumyl]methyl ester IUPAC Name: [4-[2-[benzyl(naphthalen-2-yl)amino]-2-oxoethyl]pyridin-1-ium-1-yl]methyl acetate Traditional Name: acetic acid [4-[2-[benzyl(2-naphthyl)amino]-2-keto-ethyl]pyridin-1-ium-1-yl]methyl ester Formula: C27H25N2O3+ MolecularWeight: 425.499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N2O3/c1-21(30)32-20-28-15-13-22(14-16-28)17-27(31)29(19-23-7-3-2-4-8-23)26-12-11-24-9-5-6-10-25(24)18-26/h2-16,18H,17,19-20H2,1H3/q+1