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

Systemtic Name: N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Openeye Name: N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide CAS Name: N-[2-[1-[(3-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopentanecarboxamide IUPAC Name: N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Traditional Name: N-[2-[1-(3-ethoxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4

Isomeric SMILES

CCOC1=CC=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4

InChI

InChI=1S/C23H32N4O2/c1-2-29-21-9-5-6-18(16-21)17-26-14-11-20(12-15-26)27-22(10-13-24-27)25-23(28)19-7-3-4-8-19/h5-6,9-10,13,16,19-20H,2-4,7-8,11-12,14-15,17H2,1H3,(H,25,28)/p+1