2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(4-methylcyclohexyl)ethanamide

Systemtic Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(4-methylcyclohexyl)ethanamide Openeye Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide CAS Name: 2-[4-(1-benzotriazolyl)-1-piperidin-1-iumyl]-N-(4-methylcyclohexyl)acetamide IUPAC Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide Traditional Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide Formula: C20H30N5O+ MolecularWeight: 356.4851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C[NH+]2CCC(CC2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1CCC(CC1)NC(=O)C[NH+]2CCC(CC2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H29N5O/c1-15-6-8-16(9-7-15)21-20(26)14-24-12-10-17(11-13-24)25-19-5-3-2-4-18(19)22-23-25/h2-5,15-17H,6-14H2,1H3,(H,21,26)/p+1