N-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide

Systemtic Name: N-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-[1-(benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[1-(1-benzothiophen-2-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: N-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: N-[2-[1-(benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C25H27N4OS+ MolecularWeight: 431.57308

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CC3=CC=CC=C3)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CC3=CC=CC=C3)CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C25H26N4OS/c30-25(16-19-6-2-1-3-7-19)27-24-10-13-26-29(24)21-11-14-28(15-12-21)18-22-17-20-8-4-5-9-23(20)31-22/h1-10,13,17,21H,11-12,14-16,18H2,(H,27,30)/p+1