2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N,N-diphenyl-ethanamide

Systemtic Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N,N-diphenyl-ethanamide Openeye Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N,N-diphenyl-acetamide CAS Name: 2-[4-(5-methyl-1-benzotriazolyl)-1-piperidin-1-iumyl]-N,N-diphenylacetamide IUPAC Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N,N-diphenylacetamide Traditional Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N,N-diphenyl-acetamide Formula: C26H28N5O+ MolecularWeight: 426.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(N=N2)C3CC[NH+](CC3)CC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N(N=N2)C3CC[NH+](CC3)CC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N5O/c1-20-12-13-25-24(18-20)27-28-31(25)23-14-16-29(17-15-23)19-26(32)30(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,23H,14-17,19H2,1H3/p+1