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

Systemtic Name: 2-[4-[2-(benzotriazol-1-yl)ethanoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[[2-(benzotriazol-1-yl)acetyl]amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[[2-(benzotriazol-1-yl)acetyl]amino]piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[[2-(benzotriazol-1-yl)acetyl]amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C21H25N6O2+ MolecularWeight: 393.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CN2C3=CC=CC=C3N=N2)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CN2C3=CC=CC=C3N=N2)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H24N6O2/c28-20(22-16-6-2-1-3-7-16)14-26-12-10-17(11-13-26)23-21(29)15-27-19-9-5-4-8-18(19)24-25-27/h1-9,17H,10-15H2,(H,22,28)(H,23,29)/p+1