4-(diphenylmethyl)-N-[(2S,3S)-3-methyl-1-oxidanylidene-1-[(phenylmethyl)amino]pentan-2-yl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(diphenylmethyl)-N-[(2S,3S)-3-methyl-1-oxidanylidene-1-[(phenylmethyl)amino]pentan-2-yl]piperazin-4-ium-1-carboxamide Openeye Name: 4-benzhydryl-N-[(1S,2S)-1-(benzylcarbamoyl)-2-methyl-butyl]piperazin-4-ium-1-carboxamide CAS Name: 4-(diphenylmethyl)-N-[(2S,3S)-3-methyl-1-oxo-1-[(phenylmethyl)amino]pentan-2-yl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzhydryl-N-[(2S,3S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]piperazin-4-ium-1-carboxamide Traditional Name: 4-benzhydryl-N-[(1S,2S)-1-(benzylcarbamoyl)-2-methyl-butyl]piperazin-4-ium-1-carboxamide Formula: C31H39N4O2+ MolecularWeight: 499.66696

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CC=CC=C1)NC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H38N4O2/c1-3-24(2)28(30(36)32-23-25-13-7-4-8-14-25)33-31(37)35-21-19-34(20-22-35)29(26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,24,28-29H,3,19-23H2,1-2H3,(H,32,36)(H,33,37)/p+1/t24-,28-/m0/s1