2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(p-tolylmethyl)acetamide CAS Name: 2-[4-(5-methyl-1-benzotriazolyl)-1-piperidin-1-iumyl]-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]acetamide Traditional Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(4-methylbenzyl)acetamide Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)C)N=N3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)C)N=N3

InChI

InChI=1S/C22H27N5O/c1-16-3-6-18(7-4-16)14-23-22(28)15-26-11-9-19(10-12-26)27-21-8-5-17(2)13-20(21)24-25-27/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,23,28)/p+1