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

Systemtic Name: N-[(3S)-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-[(3S)-1-(3-methoxyphenyl)-5-oxo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide CAS Name: N-[(3S)-1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinyl]-4-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzyl-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-[(3S)-5-keto-1-(3-methoxyphenyl)pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC(CC2=O)NC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)N2C[C@H](CC2=O)NC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O3/c1-30-21-9-5-8-20(15-21)27-17-19(14-22(27)28)24-23(29)26-12-10-25(11-13-26)16-18-6-3-2-4-7-18/h2-9,15,19H,10-14,16-17H2,1H3,(H,24,29)/p+1/t19-/m0/s1