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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-ium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: 4-(4-ethyl-1H-pyrazol-5-yl)-1-veratryl-piperidin-1-ium Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NN=C1)C2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=C(NN=C1)C2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H27N3O2/c1-4-15-12-20-21-19(15)16-7-9-22(10-8-16)13-14-5-6-17(23-2)18(11-14)24-3/h5-6,11-12,16H,4,7-10,13H2,1-3H3,(H,20,21)/p+1