2-[4-[(cyclohexylcarbamoylamino)carbamoyl]pyridin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide chloride

Systemtic Name: 2-[4-[(cyclohexylcarbamoylamino)carbamoyl]pyridin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide chloride Openeye Name: 2-[4-[(cyclohexylcarbamoylamino)carbamoyl]pyridin-1-ium-1-yl]-N-(p-tolyl)acetamide chloride CAS Name: 2-[4-[[[(cyclohexylamino)-oxomethyl]hydrazo]-oxomethyl]-1-pyridin-1-iumyl]-N-(4-methylphenyl)acetamide chloride IUPAC Name: 2-[4-[(cyclohexylcarbamoylamino)carbamoyl]pyridin-1-ium-1-yl]-N-(4-methylphenyl)acetamide chloride Traditional Name: 2-[4-[(cyclohexylcarbamoylamino)carbamoyl]pyridin-1-ium-1-yl]-N-(p-tolyl)acetamide chloride Formula: C22H28ClN5O3 MolecularWeight: 445.94242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[N+]2=CC=C(C=C2)C(=O)NNC(=O)NC3CCCCC3.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[N+]2=CC=C(C=C2)C(=O)NNC(=O)NC3CCCCC3.[Cl-]

InChI

InChI=1S/C22H27N5O3.ClH/c1-16-7-9-19(10-8-16)23-20(28)15-27-13-11-17(12-14-27)21(29)25-26-22(30)24-18-5-3-2-4-6-18;/h7-14,18H,2-6,15H2,1H3,(H3,23,24,28,29,30);1H