2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Formula: C25H40N4O2+2 MolecularWeight: 428.6107

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C25H38N4O2/c30-23(26-21-25(12-6-2-7-13-25)29-14-8-3-9-15-29)20-27-16-18-28(19-17-27)24(31)22-10-4-1-5-11-22/h1,4-5,10-11H,2-3,6-9,12-21H2,(H,26,30)/p+2