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

Systemtic Name: 4-(diphenylmethyl)-N-[[(3S)-5-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-benzhydryl-N-[[(3S)-1-benzyl-5-oxo-pyrrolidin-3-yl]methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-(diphenylmethyl)-N-[[(3S)-5-oxo-1-(phenylmethyl)-3-pyrrolidinyl]methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzhydryl-N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-benzhydryl-N-[[(3S)-1-benzyl-5-keto-pyrrolidin-3-yl]methyl]piperazin-4-ium-1-carboxamide Formula: C30H35N4O2+ MolecularWeight: 483.6245

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCC4CC(=O)N(C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC[C@@H]4CC(=O)N(C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H34N4O2/c35-28-20-25(23-34(28)22-24-10-4-1-5-11-24)21-31-30(36)33-18-16-32(17-19-33)29(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,25,29H,16-23H2,(H,31,36)/p+1/t25-/m0/s1