methyl 2-[[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]benzoate

Systemtic Name: methyl 2-[[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]benzoate Openeye Name: methyl 2-[[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]benzoate CAS Name: 2-[[[(2R)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]carbamoyl]benzoate Traditional Name: 2-[[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]benzoic acid methyl ester Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2C(=O)OC)[NH+]3CCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=CC=C2C(=O)OC)[NH+]3CCCC3

InChI

InChI=1S/C23H29N3O3/c1-25(2)18-12-10-17(11-13-18)21(26-14-6-7-15-26)16-24-22(27)19-8-4-5-9-20(19)23(28)29-3/h4-5,8-13,21H,6-7,14-16H2,1-3H3,(H,24,27)/p+1/t21-/m0/s1