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

Systemtic Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-chloranyl-benzamide Openeye Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-chloro-benzamide CAS Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-chlorobenzamide IUPAC Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-chlorobenzamide Traditional Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-chloro-benzamide Formula: C20H22ClN2O3+ MolecularWeight: 373.85328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC=CC=C2Cl)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC=CC=C2Cl)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21ClN2O3/c21-16-6-2-1-5-15(16)20(24)22-12-17(23-9-3-4-10-23)14-7-8-18-19(11-14)26-13-25-18/h1-2,5-8,11,17H,3-4,9-10,12-13H2,(H,22,24)/p+1/t17-/m0/s1