3-[[4-(phenylcarbonyl)piperidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(phenylcarbonyl)piperidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-benzoylpiperidin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[(4-benzoyl-1-piperidin-1-iumyl)methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-benzoylpiperidin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[(4-benzoylpiperidin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H20N4O2/c25-19(15-6-2-1-3-7-15)16-10-12-23(13-11-16)14-24-20(26)17-8-4-5-9-18(17)21-22-24/h1-9,16H,10-14H2/p+1