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

Systemtic Name: 1-[(phenylmethyl)carbamoylamino]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]cyclohexane-1-carboxamide Openeye Name: 1-(benzylcarbamoylamino)-N-(1-benzylpiperidin-1-ium-4-yl)cyclohexanecarboxamide CAS Name: 1-[[oxo-[(phenylmethyl)amino]methyl]amino]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-cyclohexanecarboxamide IUPAC Name: 1-(benzylcarbamoylamino)-N-(1-benzylpiperidin-1-ium-4-yl)cyclohexane-1-carboxamide Traditional Name: 1-(benzylcarbamoylamino)-N-(1-benzylpiperidin-1-ium-4-yl)cyclohexanecarboxamide Formula: C27H37N4O2+ MolecularWeight: 449.60828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)(C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C27H36N4O2/c32-25(29-24-14-18-31(19-15-24)21-23-12-6-2-7-13-23)27(16-8-3-9-17-27)30-26(33)28-20-22-10-4-1-5-11-22/h1-2,4-7,10-13,24H,3,8-9,14-21H2,(H,29,32)(H2,28,30,33)/p+1