(phenylmethyl) 3-butoxy-3-[ethanoyl(phenyl)amino]-1-methyl-piperidin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 3-butoxy-3-[ethanoyl(phenyl)amino]-1-methyl-piperidin-1-ium-1-carboxylate Openeye Name: benzyl 3-(N-acetylanilino)-3-butoxy-1-methyl-piperidin-1-ium-1-carboxylate CAS Name: 3-(N-acetylanilino)-3-butoxy-1-methyl-1-piperidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(N-acetylanilino)-3-butoxy-1-methylpiperidin-1-ium-1-carboxylate Traditional Name: 3-(N-acetylanilino)-3-butoxy-1-methyl-piperidin-1-ium-1-carboxylic acid benzyl ester Formula: C26H35N2O4+ MolecularWeight: 439.5671

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1(CCC[N+](C1)(C)C(=O)OCC2=CC=CC=C2)N(C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CCCCOC1(CCC[N+](C1)(C)C(=O)OCC2=CC=CC=C2)N(C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C26H35N2O4/c1-4-5-19-32-26(27(22(2)29)24-15-10-7-11-16-24)17-12-18-28(3,21-26)25(30)31-20-23-13-8-6-9-14-23/h6-11,13-16H,4-5,12,17-21H2,1-3H3/q+1