(phenylmethyl) N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamate Openeye Name: benzyl N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamate CAS Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]carbamate Traditional Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamic acid benzyl ester Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)OCC2=CC=CC=C2)[NH+]3CCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](CNC(=O)OCC2=CC=CC=C2)[NH+]3CCCC3

InChI

InChI=1S/C22H29N3O2/c1-24(2)20-12-10-19(11-13-20)21(25-14-6-7-15-25)16-23-22(26)27-17-18-8-4-3-5-9-18/h3-5,8-13,21H,6-7,14-17H2,1-2H3,(H,23,26)/p+1/t21-/m0/s1