(1S,2S)-N-[(2S)-butan-2-yl]-2-piperazin-4-ium-1-ylcarbonyl-cyclohexane-1-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CCCCC1C(=O)N2CC[NH2+]CC2

Isomeric SMILES

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

InChI

InChI=1S/C16H29N3O2/c1-3-12(2)18-15(20)13-6-4-5-7-14(13)16(21)19-10-8-17-9-11-19/h12-14,17H,3-11H2,1-2H3,(H,18,20)/p+1/t12-,13-,14-/m0/s1