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

Systemtic Name: N-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide Openeye Name: N-[2-[1-(benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide CAS Name: N-[2-[1-(1-benzothiophen-2-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-2-methoxybenzamide IUPAC Name: N-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxybenzamide Traditional Name: N-[2-[1-(benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide Formula: C25H27N4O2S+ MolecularWeight: 447.57248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C25H26N4O2S/c1-31-22-8-4-3-7-21(22)25(30)27-24-10-13-26-29(24)19-11-14-28(15-12-19)17-20-16-18-6-2-5-9-23(18)32-20/h2-10,13,16,19H,11-12,14-15,17H2,1H3,(H,27,30)/p+1