2-(benzotriazol-1-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(benzotriazol-1-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(benzotriazol-1-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(1-benzotriazolyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(benzotriazol-1-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(benzotriazol-1-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C21H26N5O+ MolecularWeight: 364.46404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H25N5O/c27-21(16-26-20-7-3-2-6-19(20)23-24-26)22-14-17-8-10-18(11-9-17)15-25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-16H2,(H,22,27)/p+1