(1S,2R)-N-(2-methylpropyl)-2-piperazin-4-ium-1-ylcarbonyl-cyclohexane-1-carboxamide

Systemtic Name: (1S,2R)-N-(2-methylpropyl)-2-piperazin-4-ium-1-ylcarbonyl-cyclohexane-1-carboxamide Openeye Name: (1S,2R)-N-isobutyl-2-(piperazin-4-ium-1-carbonyl)cyclohexanecarboxamide CAS Name: (1S,2R)-N-(2-methylpropyl)-2-[oxo(1-piperazin-4-iumyl)methyl]-1-cyclohexanecarboxamide IUPAC Name: (1S,2R)-N-(2-methylpropyl)-2-(piperazin-4-ium-1-carbonyl)cyclohexane-1-carboxamide Traditional Name: (1S,2R)-N-isobutyl-2-(piperazin-4-ium-1-carbonyl)cyclohexanecarboxamide Formula: C16H30N3O2+ MolecularWeight: 296.4283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1CCCCC1C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC(C)CNC(=O)[C@H]1CCCC[C@H]1C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C16H29N3O2/c1-12(2)11-18-15(20)13-5-3-4-6-14(13)16(21)19-9-7-17-8-10-19/h12-14,17H,3-11H2,1-2H3,(H,18,20)/p+1/t13-,14+/m0/s1