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

Systemtic Name: (1S,2R)-2-piperazin-4-ium-1-ylcarbonyl-N-prop-2-enyl-cyclohexane-1-carboxamide Openeye Name: (1S,2R)-N-allyl-2-(piperazin-4-ium-1-carbonyl)cyclohexanecarboxamide CAS Name: (1S,2R)-2-[oxo(1-piperazin-4-iumyl)methyl]-N-prop-2-enyl-1-cyclohexanecarboxamide IUPAC Name: (1S,2R)-2-(piperazin-4-ium-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide Traditional Name: (1S,2R)-N-allyl-2-(piperazin-4-ium-1-carbonyl)cyclohexanecarboxamide Formula: C15H26N3O2+ MolecularWeight: 280.38584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3O2/c1-2-7-17-14(19)12-5-3-4-6-13(12)15(20)18-10-8-16-9-11-18/h2,12-13,16H,1,3-11H2,(H,17,19)/p+1/t12-,13+/m0/s1