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

Systemtic Name: 2-[[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[(3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidin-3-yl]carbamoylamino]ethyl]-methyl-ammonium CAS Name: 2-[[[[(3S)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]-methylazanium Traditional Name: benzyl-[2-[[(3S)-5-keto-1-p-phenetyl-pyrrolidin-3-yl]carbamoylamino]ethyl]-methyl-ammonium Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)NCC[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)NC(=O)NCC[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O3/c1-3-30-21-11-9-20(10-12-21)27-17-19(15-22(27)28)25-23(29)24-13-14-26(2)16-18-7-5-4-6-8-18/h4-12,19H,3,13-17H2,1-2H3,(H2,24,25,29)/p+1/t19-/m0/s1