N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenyl-propanamide

Systemtic Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenyl-propanamide Openeye Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenyl-propanamide CAS Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-phenylpropanamide IUPAC Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-phenylpropanamide Traditional Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenyl-propionamide Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CCC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CCC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O3/c25-22(11-8-17-6-2-1-3-7-17)23-15-19(24-12-4-5-13-24)18-9-10-20-21(14-18)27-16-26-20/h1-3,6-7,9-10,14,19H,4-5,8,11-13,15-16H2,(H,23,25)/p+1/t19-/m0/s1