N-[(1-ethylpyrazol-4-yl)methyl]-3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: N-[(1-ethylpyrazol-4-yl)methyl]-3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-[(1-ethylpyrazol-4-yl)methyl]-3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-[(1-ethyl-4-pyrazolyl)methyl]-3-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-[(1-ethylpyrazol-4-yl)methyl]-3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-[(1-ethylpyrazol-4-yl)methyl]-3-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C24H37N5O2+2 MolecularWeight: 427.58288

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC(=O)C2=CC(=CC=C2)OC3CC[NH+](CC3)C4CC[NH+](CC4)C

Isomeric SMILES

CCN1C=C(C=N1)CNC(=O)C2=CC(=CC=C2)OC3CC[NH+](CC3)C4CC[NH+](CC4)C

InChI

InChI=1S/C24H35N5O2/c1-3-29-18-19(17-26-29)16-25-24(30)20-5-4-6-23(15-20)31-22-9-13-28(14-10-22)21-7-11-27(2)12-8-21/h4-6,15,17-18,21-22H,3,7-14,16H2,1-2H3,(H,25,30)/p+2