(3S)-1-[(2,6-dimethoxyphenyl)methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium

Systemtic Name: (3S)-1-[(2,6-dimethoxyphenyl)methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: (3S)-1-[(2,6-dimethoxyphenyl)methyl]-3-(4-isopropyl-1H-pyrazol-5-yl)piperidin-1-ium CAS Name: (3S)-1-[(2,6-dimethoxyphenyl)methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium IUPAC Name: (3S)-1-[(2,6-dimethoxyphenyl)methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: (3S)-1-(2,6-dimethoxybenzyl)-3-(4-isopropyl-1H-pyrazol-5-yl)piperidin-1-ium Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(NN=C1)C2CCC[NH+](C2)CC3=C(C=CC=C3OC)OC

Isomeric SMILES

CC(C)C1=C(NN=C1)[C@H]2CCC[NH+](C2)CC3=C(C=CC=C3OC)OC

InChI

InChI=1S/C20H29N3O2/c1-14(2)16-11-21-22-20(16)15-7-6-10-23(12-15)13-17-18(24-3)8-5-9-19(17)25-4/h5,8-9,11,14-15H,6-7,10,12-13H2,1-4H3,(H,21,22)/p+1/t15-/m0/s1