1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-ol Openeye Name: 1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-ol CAS Name: 1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumol IUPAC Name: 1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-ol Traditional Name: 1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-ol Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C=NN2)C[NH+]3CCC(CC3)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C=NN2)C[NH+]3CCC(CC3)O

InChI

InChI=1S/C18H25N3O4/c1-23-15-8-12(9-16(24-2)18(15)25-3)17-13(10-19-20-17)11-21-6-4-14(22)5-7-21/h8-10,14,22H,4-7,11H2,1-3H3,(H,19,20)/p+1