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

Systemtic Name: 4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]cyclohexane-1-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarboxamide CAS Name: 4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-cyclohexanecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexane-1-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarboxamide Formula: C27H34N5O2+ MolecularWeight: 460.59116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=N2)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H33N5O2/c33-26(28-23-14-16-31(17-15-23)18-20-6-2-1-3-7-20)22-12-10-21(11-13-22)19-32-27(34)24-8-4-5-9-25(24)29-30-32/h1-9,21-23H,10-19H2,(H,28,33)/p+1