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

Systemtic Name: (3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-1-ium Openeye Name: (3S)-3-(4-isopropyl-1H-pyrazol-5-yl)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-1-ium CAS Name: (3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-1-ium IUPAC Name: (3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-1-ium Traditional Name: (3S)-3-(4-isopropyl-1H-pyrazol-5-yl)-1-(2,4,6-trimethoxybenzyl)piperidin-1-ium Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3/c1-14(2)17-11-22-23-21(17)15-7-6-8-24(12-15)13-18-19(26-4)9-16(25-3)10-20(18)27-5/h9-11,14-15H,6-8,12-13H2,1-5H3,(H,22,23)/p+1/t15-/m0/s1