4-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 4-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 4-methoxy-N-[2-[1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 4-methoxy-N-[2-[1-[(5-methyl-2-thiophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 4-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 4-methoxy-N-[2-[1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H26N4O2S/c1-16-3-8-20(29-16)15-25-13-10-18(11-14-25)26-21(9-12-23-26)24-22(27)17-4-6-19(28-2)7-5-17/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,24,27)/p+1