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

Systemtic Name: 2-methoxy-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-methoxy-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-methoxy-N-[2-[1-(1H-pyrazol-5-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-methoxy-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-methoxy-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C20H25N6O2+ MolecularWeight: 381.4515

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=NN4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC=NN4

InChI

InChI=1S/C20H24N6O2/c1-28-18-5-3-2-4-17(18)20(27)23-19-7-11-22-26(19)16-8-12-25(13-9-16)14-15-6-10-21-24-15/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,21,24)(H,23,27)/p+1