1-[(1S,2R)-3-(methylamino)-2-oxidanyl-1-phenyl-propyl]-3-propyl-benzimidazol-2-one hydrochloride

Systemtic Name: 1-[(1S,2R)-3-(methylamino)-2-oxidanyl-1-phenyl-propyl]-3-propyl-benzimidazol-2-one hydrochloride Openeye Name: 1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenyl-propyl]-3-propyl-benzimidazol-2-one hydrochloride CAS Name: 1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-3-propyl-2-benzimidazolone hydrochloride IUPAC Name: 1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-3-propylbenzimidazol-2-one hydrochloride Traditional Name: 1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenyl-propyl]-3-propyl-benzimidazol-2-one hydrochloride Formula: C20H26ClN3O2 MolecularWeight: 375.89234

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)C(C3=CC=CC=C3)C(CNC)O.Cl

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)[C@@H](C3=CC=CC=C3)[C@@H](CNC)O.Cl

InChI

InChI=1S/C20H25N3O2.ClH/c1-3-13-22-16-11-7-8-12-17(16)23(20(22)25)19(18(24)14-21-2)15-9-5-4-6-10-15;/h4-12,18-19,21,24H,3,13-14H2,1-2H3;1H/t18-,19+;/m1./s1