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

Systemtic Name: 4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide CAS Name: 4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]butanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(4-keto-1,2,3-benzotriazin-3-yl)butyramide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CCCN2C(=O)C3=CC=CC=C3N=N2)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CCCN2C(=O)C3=CC=CC=C3N=N2)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2/c29-22(11-6-14-28-23(30)20-9-4-5-10-21(20)25-26-28)24-19-12-15-27(16-13-19)17-18-7-2-1-3-8-18/h1-5,7-10,19H,6,11-17H2,(H,24,29)/p+1