1-[(2-methylphenyl)carbamoylamino]-N-(3-morpholin-4-ium-4-ylpropyl)cyclohexane-1-carboxamide

Systemtic Name: 1-[(2-methylphenyl)carbamoylamino]-N-(3-morpholin-4-ium-4-ylpropyl)cyclohexane-1-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-(o-tolylcarbamoylamino)cyclohexanecarboxamide CAS Name: 1-[[(2-methylanilino)-oxomethyl]amino]-N-[3-(4-morpholin-4-iumyl)propyl]-1-cyclohexanecarboxamide IUPAC Name: 1-[(2-methylphenyl)carbamoylamino]-N-(3-morpholin-4-ium-4-ylpropyl)cyclohexane-1-carboxamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-(o-tolylcarbamoylamino)cyclohexanecarboxamide Formula: C22H35N4O3+ MolecularWeight: 403.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2(CCCCC2)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2(CCCCC2)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C22H34N4O3/c1-18-8-3-4-9-19(18)24-21(28)25-22(10-5-2-6-11-22)20(27)23-12-7-13-26-14-16-29-17-15-26/h3-4,8-9H,2,5-7,10-17H2,1H3,(H,23,27)(H2,24,25,28)/p+1