N-[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-[(3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide CAS Name: N-[(3S)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinyl]-4-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzyl-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-[(3S)-5-keto-1-p-phenetyl-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)NC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O3/c1-2-31-22-10-8-21(9-11-22)28-18-20(16-23(28)29)25-24(30)27-14-12-26(13-15-27)17-19-6-4-3-5-7-19/h3-11,20H,2,12-18H2,1H3,(H,25,30)/p+1/t20-/m0/s1