3-[[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(3S)-1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-1-(3,4-dimethylphenyl)-5-keto-pyrrolidine-3-carbonyl]amino]propyl-dimethyl-ammonium Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCCC[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C[C@H](CC2=O)C(=O)NCCC[NH+](C)C)C

InChI

InChI=1S/C18H27N3O2/c1-13-6-7-16(10-14(13)2)21-12-15(11-17(21)22)18(23)19-8-5-9-20(3)4/h6-7,10,15H,5,8-9,11-12H2,1-4H3,(H,19,23)/p+1/t15-/m0/s1