N-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

Systemtic Name: N-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Openeye Name: N-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide CAS Name: N-[2-[1-[3-(methylthio)propyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopentanecarboxamide IUPAC Name: N-[2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Traditional Name: N-[2-[1-[3-(methylthio)propyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Formula: C18H31N4OS+ MolecularWeight: 351.52994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3CCCC3

Isomeric SMILES

CSCCC[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3CCCC3

InChI

InChI=1S/C18H30N4OS/c1-24-14-4-11-21-12-8-16(9-13-21)22-17(7-10-19-22)20-18(23)15-5-2-3-6-15/h7,10,15-16H,2-6,8-9,11-14H2,1H3,(H,20,23)/p+1