[2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] 2-ethoxybenzoate

Systemtic Name: [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] 2-ethoxybenzoate Openeye Name: [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid [2-(1-methyl-1-pyrrolidin-1-iumyl)-1-phenylethyl] ester IUPAC Name: [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylethyl] 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] ester Formula: C22H28NO3+ MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OC(C[N+]2(CCCC2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OC(C[N+]2(CCCC2)C)C3=CC=CC=C3

InChI

InChI=1S/C22H28NO3/c1-3-25-20-14-8-7-13-19(20)22(24)26-21(18-11-5-4-6-12-18)17-23(2)15-9-10-16-23/h4-8,11-14,21H,3,9-10,15-17H2,1-2H3/q+1