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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(N=N2)C3CC[NH+](CC3)CC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N(N=N2)C3CC[NH+](CC3)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O/c1-17-7-8-21-20(15-17)24-25-27(21)19-10-13-26(14-11-19)16-22(28)23-12-9-18-5-3-2-4-6-18/h2-8,15,19H,9-14,16H2,1H3,(H,23,28)/p+1