N-[4-methyl-3-[[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylamino]phenyl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[4-methyl-3-[[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylamino]phenyl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-[3-[(4-benzylpiperazin-4-ium-1-carbonyl)amino]-4-methyl-phenyl]piperazin-4-ium-1-carboxamide CAS Name: N-[4-methyl-3-[[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]amino]phenyl]-4-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzyl-N-[3-[(4-benzylpiperazin-4-ium-1-carbonyl)amino]-4-methylphenyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-[3-[(4-benzylpiperazin-4-ium-1-carbonyl)amino]-4-methyl-phenyl]piperazin-4-ium-1-carboxamide Formula: C31H40N6O2+2 MolecularWeight: 528.6883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H38N6O2/c1-25-12-13-28(32-30(38)36-18-14-34(15-19-36)23-26-8-4-2-5-9-26)22-29(25)33-31(39)37-20-16-35(17-21-37)24-27-10-6-3-7-11-27/h2-13,22H,14-21,23-24H2,1H3,(H,32,38)(H,33,39)/p+2