1-(cyclohexylcarbamoylamino)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]cyclohexane-1-carboxamide

Systemtic Name: 1-(cyclohexylcarbamoylamino)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]cyclohexane-1-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(cyclohexylcarbamoylamino)cyclohexanecarboxamide CAS Name: 1-[[(cyclohexylamino)-oxomethyl]amino]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-cyclohexanecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(cyclohexylcarbamoylamino)cyclohexane-1-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(cyclohexylcarbamoylamino)cyclohexanecarboxamide Formula: C26H41N4O2+ MolecularWeight: 441.62934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC2(CCCCC2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)NC2(CCCCC2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H40N4O2/c31-24(27-23-14-18-30(19-15-23)20-21-10-4-1-5-11-21)26(16-8-3-9-17-26)29-25(32)28-22-12-6-2-7-13-22/h1,4-5,10-11,22-23H,2-3,6-9,12-20H2,(H,27,31)(H2,28,29,32)/p+1