[4-(2-phenoxyethyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]methanol

Systemtic Name: [4-(2-phenoxyethyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]methanol Openeye Name: [4-(2-phenoxyethyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]methanol CAS Name: [4-(2-phenoxyethyl)-1-[3-(1-pyrazolyl)propyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [4-(2-phenoxyethyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]methanol Traditional Name: [4-(2-phenoxyethyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]methanol Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(CCOC2=CC=CC=C2)CO)CCCN3C=CC=N3

Isomeric SMILES

C1C[NH+](CCC1(CCOC2=CC=CC=C2)CO)CCCN3C=CC=N3

InChI

InChI=1S/C20H29N3O2/c24-18-20(10-17-25-19-6-2-1-3-7-19)8-15-22(16-9-20)12-5-14-23-13-4-11-21-23/h1-4,6-7,11,13,24H,5,8-10,12,14-18H2/p+1