2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[4-(1-benzotriazolyl)-1-piperidin-1-iumyl]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-mesityl-acetamide Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCC(CC2)N3C4=CC=CC=C4N=N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCC(CC2)N3C4=CC=CC=C4N=N3)C

InChI

InChI=1S/C22H27N5O/c1-15-12-16(2)22(17(3)13-15)23-21(28)14-26-10-8-18(9-11-26)27-20-7-5-4-6-19(20)24-25-27/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,23,28)/p+1