(2-chloranylpyridin-3-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-chloranylpyridin-3-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2-chloro-3-pyridyl)methanone CAS Name: (2-chloro-3-pyridinyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-chloropyridin-3-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2-chloro-3-pyridyl)methanone Formula: C17H19ClN3O+ MolecularWeight: 316.80526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C17H18ClN3O/c18-16-15(7-4-8-19-16)17(22)21-11-9-20(10-12-21)13-14-5-2-1-3-6-14/h1-8H,9-13H2/p+1