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

Systemtic Name: 2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(4-keto-1,2,3-benzotriazin-3-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H25N5O2/c28-21(16-27-22(29)19-6-2-3-7-20(19)24-25-27)23-14-17-8-10-18(11-9-17)15-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-16H2,(H,23,28)/p+1