2-[4-[(4-cyanophenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[(4-cyanophenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[[(4-cyanoanilino)-oxomethyl]amino]-1-piperidin-1-iumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-[(4-cyanophenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)NC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)NC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C23H27N5O2/c1-16-4-3-5-21(17(16)2)27-22(29)15-28-12-10-20(11-13-28)26-23(30)25-19-8-6-18(14-24)7-9-19/h3-9,20H,10-13,15H2,1-2H3,(H,27,29)(H2,25,26,30)/p+1