N-(3-methylsulfanylphenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-4-(3-pyridylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[3-(methylthio)phenyl]-4-(3-pyridinylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-4-(3-pyridylmethyl)piperazin-4-ium-1-carboxamide Formula: C18H23N4OS+ MolecularWeight: 343.46642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N2CC[NH+](CC2)CC3=CN=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CC[NH+](CC2)CC3=CN=CC=C3

InChI

InChI=1S/C18H22N4OS/c1-24-17-6-2-5-16(12-17)20-18(23)22-10-8-21(9-11-22)14-15-4-3-7-19-13-15/h2-7,12-13H,8-11,14H2,1H3,(H,20,23)/p+1