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

Systemtic Name: N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: N-[2-[1-[(2-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: N-[2-[1-(2-ethoxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2/c1-2-30-22-11-7-6-10-20(22)18-27-16-13-21(14-17-27)28-23(12-15-25-28)26-24(29)19-8-4-3-5-9-19/h3-12,15,21H,2,13-14,16-18H2,1H3,(H,26,29)/p+1