2-[[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]ethyl-methyl-(phenylmethyl)azanium

Systemtic Name: 2-[[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[(3S)-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidin-3-yl]carbamoylamino]ethyl]-methyl-ammonium CAS Name: 2-[[[[(3S)-1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]-methylazanium Traditional Name: benzyl-[2-[[(3S)-1-(3,4-dimethylphenyl)-5-keto-pyrrolidin-3-yl]carbamoylamino]ethyl]-methyl-ammonium Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)NC(=O)NCC[NH+](C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C[C@H](CC2=O)NC(=O)NCC[NH+](C)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H30N4O2/c1-17-9-10-21(13-18(17)2)27-16-20(14-22(27)28)25-23(29)24-11-12-26(3)15-19-7-5-4-6-8-19/h4-10,13,20H,11-12,14-16H2,1-3H3,(H2,24,25,29)/p+1/t20-/m0/s1