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

Systemtic Name: N-[2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Openeye Name: N-[2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide CAS Name: N-[2-[1-[(2,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopentanecarboxamide IUPAC Name: N-[2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Traditional Name: N-[2-[1-(2,4-dimethoxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Formula: C23H33N4O3+ MolecularWeight: 413.53312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4)OC

InChI

InChI=1S/C23H32N4O3/c1-29-20-8-7-18(21(15-20)30-2)16-26-13-10-19(11-14-26)27-22(9-12-24-27)25-23(28)17-5-3-4-6-17/h7-9,12,15,17,19H,3-6,10-11,13-14,16H2,1-2H3,(H,25,28)/p+1