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

Systemtic Name: N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Openeye Name: N-[2-[1-[(4-isopropoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide CAS Name: N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopentanecarboxamide IUPAC Name: N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Traditional Name: N-[2-[1-(4-isopropoxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Formula: C24H35N4O2+ MolecularWeight: 411.5603

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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)C4CCCC4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4

InChI

InChI=1S/C24H34N4O2/c1-18(2)30-22-9-7-19(8-10-22)17-27-15-12-21(13-16-27)28-23(11-14-25-28)26-24(29)20-5-3-4-6-20/h7-11,14,18,20-21H,3-6,12-13,15-17H2,1-2H3,(H,26,29)/p+1