1-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C20H22N5O2+ MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H21N5O2/c26-19(21-16-6-2-1-3-7-16)15-10-12-24(13-11-15)14-25-20(27)17-8-4-5-9-18(17)22-23-25/h1-9,15H,10-14H2,(H,21,26)/p+1