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

Systemtic Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-ethanamide Openeye Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-acetamide CAS Name: 2-[4-(1-benzotriazolyl)-1-piperidin-1-iumyl]-N-cyclohexylacetamide IUPAC Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-cyclohexylacetamide Traditional Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-acetamide Formula: C19H28N5O+ MolecularWeight: 342.45852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C[NH+]2CCC(CC2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCC(CC1)NC(=O)C[NH+]2CCC(CC2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H27N5O/c25-19(20-15-6-2-1-3-7-15)14-23-12-10-16(11-13-23)24-18-9-5-4-8-17(18)21-22-24/h4-5,8-9,15-16H,1-3,6-7,10-14H2,(H,20,25)/p+1