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

Systemtic Name: 4-methyl-N-[[(3S)-5-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-[[(3S)-1-benzyl-5-oxo-pyrrolidin-3-yl]methyl]-4-methyl-piperazin-4-ium-1-carboxamide CAS Name: 4-methyl-N-[[(3S)-5-oxo-1-(phenylmethyl)-3-pyrrolidinyl]methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methylpiperazin-4-ium-1-carboxamide Traditional Name: N-[[(3S)-1-benzyl-5-keto-pyrrolidin-3-yl]methyl]-4-methyl-piperazin-4-ium-1-carboxamide Formula: C18H27N4O2+ MolecularWeight: 331.43258

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)NCC2CC(=O)N(C2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)NC[C@@H]2CC(=O)N(C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H26N4O2/c1-20-7-9-21(10-8-20)18(24)19-12-16-11-17(23)22(14-16)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H,19,24)/p+1/t16-/m0/s1