2-(benzotriazol-2-yl)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-ethanamide

Systemtic Name: 2-(benzotriazol-2-yl)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-ethanamide Openeye Name: 2-(benzotriazol-2-yl)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-acetamide CAS Name: 2-(2-benzotriazolyl)-N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-N-phenethylacetamide IUPAC Name: 2-(benzotriazol-2-yl)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethylacetamide Traditional Name: 2-(benzotriazol-2-yl)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-acetamide Formula: C23H30N5O+ MolecularWeight: 392.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)CN(CCC2=CC=CC=C2)C(=O)CN3N=C4C=CC=CC4=N3

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)CN(CCC2=CC=CC=C2)C(=O)CN3N=C4C=CC=CC4=N3

InChI

InChI=1S/C23H29N5O/c1-26-14-7-10-20(16-26)17-27(15-13-19-8-3-2-4-9-19)23(29)18-28-24-21-11-5-6-12-22(21)25-28/h2-6,8-9,11-12,20H,7,10,13-18H2,1H3/p+1/t20-/m0/s1