[2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] 4-methoxybenzoate

Systemtic Name: [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] 4-methoxybenzoate Openeye Name: [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-(1-methyl-1-pyrrolidin-1-iumyl)-1-phenylethyl] ester IUPAC Name: [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylethyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] ester Formula: C21H26NO3+ MolecularWeight: 340.43604

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[N+]1(CCCC1)CC(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26NO3/c1-22(14-6-7-15-22)16-20(17-8-4-3-5-9-17)25-21(23)18-10-12-19(24-2)13-11-18/h3-5,8-13,20H,6-7,14-16H2,1-2H3/q+1