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

Systemtic Name: N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Openeye Name: N-[2-[1-[(4-isopropoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide CAS Name: N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopropanecarboxamide IUPAC Name: N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Traditional Name: N-[2-[1-(4-isopropoxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4

InChI

InChI=1S/C22H30N4O2/c1-16(2)28-20-7-3-17(4-8-20)15-25-13-10-19(11-14-25)26-21(9-12-23-26)24-22(27)18-5-6-18/h3-4,7-9,12,16,18-19H,5-6,10-11,13-15H2,1-2H3,(H,24,27)/p+1