N4-methyl-N4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-N1-phenyl-piperidine-1,4-dicarboxamide

Systemtic Name: N4-methyl-N4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-N1-phenyl-piperidine-1,4-dicarboxamide Openeye Name: N4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N4-methyl-N1-phenyl-piperidine-1,4-dicarboxamide CAS Name: N4-methyl-N4-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-N1-phenylpiperidine-1,4-dicarboxamide IUPAC Name: 4-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide Traditional Name: N'-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N'-methyl-N-phenyl-piperidine-1,4-dicarboxamide Formula: C27H36N5O3+ MolecularWeight: 478.60644

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H35N5O3/c1-29(21-25(33)31-18-16-30(17-19-31)20-22-8-4-2-5-9-22)26(34)23-12-14-32(15-13-23)27(35)28-24-10-6-3-7-11-24/h2-11,23H,12-21H2,1H3,(H,28,35)/p+1