N-[2-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

Systemtic Name: N-[2-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Openeye Name: N-[2-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide CAS Name: N-[2-[1-[(2,3,4-trimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopropanecarboxamide IUPAC Name: N-[2-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Traditional Name: N-[2-[1-(2,3,4-trimethoxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Formula: C22H31N4O4+ MolecularWeight: 415.50594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4)OC)OC

InChI

InChI=1S/C22H30N4O4/c1-28-18-7-6-16(20(29-2)21(18)30-3)14-25-12-9-17(10-13-25)26-19(8-11-23-26)24-22(27)15-4-5-15/h6-8,11,15,17H,4-5,9-10,12-14H2,1-3H3,(H,24,27)/p+1