(6-chloranyl-1,3-benzodioxol-5-yl)methyl-[2-[(2R)-5-oxidanylidene-1-phenethyl-pyrrolidin-2-yl]ethyl]azanium

Systemtic Name: (6-chloranyl-1,3-benzodioxol-5-yl)methyl-[2-[(2R)-5-oxidanylidene-1-phenethyl-pyrrolidin-2-yl]ethyl]azanium Openeye Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[2-[(2R)-5-oxo-1-phenethyl-pyrrolidin-2-yl]ethyl]ammonium CAS Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[2-[(2R)-5-oxo-1-phenethyl-2-pyrrolidinyl]ethyl]ammonium IUPAC Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[2-[(2R)-5-oxo-1-phenethylpyrrolidin-2-yl]ethyl]azanium Traditional Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[2-[(2R)-5-keto-1-phenethyl-pyrrolidin-2-yl]ethyl]ammonium Formula: C22H26ClN2O3+ MolecularWeight: 401.90644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1CC[NH2+]CC2=CC3=C(C=C2Cl)OCO3)CCC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N([C@H]1CC[NH2+]CC2=CC3=C(C=C2Cl)OCO3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H25ClN2O3/c23-19-13-21-20(27-15-28-21)12-17(19)14-24-10-8-18-6-7-22(26)25(18)11-9-16-4-2-1-3-5-16/h1-5,12-13,18,24H,6-11,14-15H2/p+1/t18-/m1/s1