N-[2-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

Systemtic Name: N-[2-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Openeye Name: N-[2-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide CAS Name: N-[2-[1-[(3,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopropanecarboxamide IUPAC Name: N-[2-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Traditional Name: N-[2-[1-(3,5-dimethoxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3/c1-27-18-11-15(12-19(13-18)28-2)14-24-9-6-17(7-10-24)25-20(5-8-22-25)23-21(26)16-3-4-16/h5,8,11-13,16-17H,3-4,6-7,9-10,14H2,1-2H3,(H,23,26)/p+1