[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanol Openeye Name: [1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanol CAS Name: [1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanol Traditional Name: [1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanol Formula: C22H34N3O2+ MolecularWeight: 372.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NNC(=C1)C[NH+]2CCC(CC2)(CCOC3=CC=CC=C3)CO

Isomeric SMILES

CC(C)CC1=NNC(=C1)C[NH+]2CCC(CC2)(CCOC3=CC=CC=C3)CO

InChI

InChI=1S/C22H33N3O2/c1-18(2)14-19-15-20(24-23-19)16-25-11-8-22(17-26,9-12-25)10-13-27-21-6-4-3-5-7-21/h3-7,15,18,26H,8-14,16-17H2,1-2H3,(H,23,24)/p+1