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

Systemtic Name: 2-[[(3S)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-pyrrolidin-3-yl]carbamoylamino]ethyl]-methyl-ammonium CAS Name: 2-[[[[(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]-methylazanium Traditional Name: benzyl-[2-[[(3S)-1-(3,4-dimethoxyphenyl)-5-keto-pyrrolidin-3-yl]carbamoylamino]ethyl]-methyl-ammonium Formula: C23H31N4O4+ MolecularWeight: 427.51664

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCNC(=O)NC1CC(=O)N(C1)C2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCNC(=O)N[C@H]1CC(=O)N(C1)C2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O4/c1-26(15-17-7-5-4-6-8-17)12-11-24-23(29)25-18-13-22(28)27(16-18)19-9-10-20(30-2)21(14-19)31-3/h4-10,14,18H,11-13,15-16H2,1-3H3,(H2,24,25,29)/p+1/t18-/m0/s1