(6-methyl-1,3-benzodioxol-5-yl)methyl-[(3R)-5-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]azanium

Systemtic Name: (6-methyl-1,3-benzodioxol-5-yl)methyl-[(3R)-5-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]azanium Openeye Name: (6-methyl-1,3-benzodioxol-5-yl)methyl-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]ammonium CAS Name: (6-methyl-1,3-benzodioxol-5-yl)methyl-[(3R)-5-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]ammonium IUPAC Name: (6-methyl-1,3-benzodioxol-5-yl)methyl-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]azanium Traditional Name: [(3R)-5-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]-[(6-methyl-1,3-benzodioxol-5-yl)methyl]ammonium Formula: C22H27N2O3+ MolecularWeight: 367.46138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C[NH2+]C3CC(=O)N(C3)CCCC4=CC=CC=C4)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1C[NH2+][C@@H]3CC(=O)N(C3)CCCC4=CC=CC=C4)OCO2

InChI

InChI=1S/C22H26N2O3/c1-16-10-20-21(27-15-26-20)11-18(16)13-23-19-12-22(25)24(14-19)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-11,19,23H,5,8-9,12-15H2,1H3/p+1/t19-/m1/s1