2-(benzotriazol-2-yl)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(benzotriazol-2-yl)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]ethanamide Openeye Name: 2-(benzotriazol-2-yl)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]acetamide CAS Name: 2-(2-benzotriazolyl)-N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-(benzotriazol-2-yl)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]acetamide Traditional Name: 2-(benzotriazol-2-yl)-N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]acetamide Formula: C20H23FN5O+ MolecularWeight: 368.427923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2F)NC(=O)CN3N=C4C=CC=CC4=N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2F)NC(=O)CN3N=C4C=CC=CC4=N3

InChI

InChI=1S/C20H22FN5O/c21-17-8-2-1-6-15(17)12-25-11-5-7-16(13-25)22-20(27)14-26-23-18-9-3-4-10-19(18)24-26/h1-4,6,8-10,16H,5,7,11-14H2,(H,22,27)/p+1/t16-/m0/s1