2-[4-(cyclohexylcarbamoylamino)piperidin-1-ium-1-yl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[4-(cyclohexylcarbamoylamino)piperidin-1-ium-1-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[4-(cyclohexylcarbamoylamino)piperidin-1-ium-1-yl]-N-(o-tolyl)acetamide CAS Name: 2-[4-[[(cyclohexylamino)-oxomethyl]amino]-1-piperidin-1-iumyl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[4-(cyclohexylcarbamoylamino)piperidin-1-ium-1-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[4-(cyclohexylcarbamoylamino)piperidin-1-ium-1-yl]-N-(o-tolyl)acetamide Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)NC(=O)NC3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)NC(=O)NC3CCCCC3

InChI

InChI=1S/C21H32N4O2/c1-16-7-5-6-10-19(16)24-20(26)15-25-13-11-18(12-14-25)23-21(27)22-17-8-3-2-4-9-17/h5-7,10,17-18H,2-4,8-9,11-15H2,1H3,(H,24,26)(H2,22,23,27)/p+1