N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenyl-propanamide

Systemtic Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenyl-propanamide Openeye Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenyl-propanamide CAS Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-phenylpropanamide IUPAC Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-phenylpropanamide Traditional Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenyl-propionamide Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)CCC2=CC=CC=C2)[NH+]3CCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](CNC(=O)CCC2=CC=CC=C2)[NH+]3CCCC3

InChI

InChI=1S/C23H31N3O/c1-25(2)21-13-11-20(12-14-21)22(26-16-6-7-17-26)18-24-23(27)15-10-19-8-4-3-5-9-19/h3-5,8-9,11-14,22H,6-7,10,15-18H2,1-2H3,(H,24,27)/p+1/t22-/m0/s1