N-[2-[1-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

Systemtic Name: N-[2-[1-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Openeye Name: N-[2-[1-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide CAS Name: N-[2-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopropanecarboxamide IUPAC Name: N-[2-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Traditional Name: N-[2-[1-[3-(ethoxymethyl)-4-methoxy-benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Formula: C23H33N4O3+ MolecularWeight: 413.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4)OC

InChI

InChI=1S/C23H32N4O3/c1-3-30-16-19-14-17(4-7-21(19)29-2)15-26-12-9-20(10-13-26)27-22(8-11-24-27)25-23(28)18-5-6-18/h4,7-8,11,14,18,20H,3,5-6,9-10,12-13,15-16H2,1-2H3,(H,25,28)/p+1