(3S)-N3-methyl-N3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-N1-phenyl-piperidine-1,3-dicarboxamide

Systemtic Name: (3S)-N3-methyl-N3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-N1-phenyl-piperidine-1,3-dicarboxamide Openeye Name: (3S)-N3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N3-methyl-N1-phenyl-piperidine-1,3-dicarboxamide CAS Name: (3S)-N3-methyl-N3-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-N1-phenylpiperidine-1,3-dicarboxamide IUPAC Name: (3S)-3-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide Traditional Name: (3S)-N'-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N'-methyl-N-phenyl-piperidine-1,3-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)C3CCCN(C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)[C@H]3CCCN(C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H35N5O3/c1-29(21-25(33)31-17-15-30(16-18-31)19-22-9-4-2-5-10-22)26(34)23-11-8-14-32(20-23)27(35)28-24-12-6-3-7-13-24/h2-7,9-10,12-13,23H,8,11,14-21H2,1H3,(H,28,35)/p+1/t23-/m0/s1