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

Systemtic Name: 3-[[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidin-3-yl]carbamoylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(3S)-1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-1-(3,4-dimethylphenyl)-5-keto-pyrrolidin-3-yl]carbamoylamino]propyl-dimethyl-ammonium Formula: C18H29N4O2+ MolecularWeight: 333.44846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O2/c1-13-6-7-16(10-14(13)2)22-12-15(11-17(22)23)20-18(24)19-8-5-9-21(3)4/h6-7,10,15H,5,8-9,11-12H2,1-4H3,(H2,19,20,24)/p+1/t15-/m0/s1