N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-phenyl-benzamide

Systemtic Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-phenyl-benzamide Openeye Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-phenyl-benzamide CAS Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-phenylbenzamide IUPAC Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-phenylbenzamide Traditional Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-phenyl-benzamide Formula: C27H32N3O+ MolecularWeight: 414.56248

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C27H31N3O/c1-29(2)25-16-14-23(15-17-25)26(30-18-6-7-19-30)20-28-27(31)24-12-10-22(11-13-24)21-8-4-3-5-9-21/h3-5,8-17,26H,6-7,18-20H2,1-2H3,(H,28,31)/p+1/t26-/m0/s1