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

Systemtic Name: (3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium Openeye Name: (3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium CAS Name: (3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium IUPAC Name: (3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium Traditional Name: (3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-(2,4,5-trimethoxybenzyl)piperidin-1-ium Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN=C1)C2CCC[NH+](C2)CC3=CC(=C(C=C3OC)OC)OC

Isomeric SMILES

CC1=C(NN=C1)[C@H]2CCC[NH+](C2)CC3=CC(=C(C=C3OC)OC)OC

InChI

InChI=1S/C19H27N3O3/c1-13-10-20-21-19(13)14-6-5-7-22(11-14)12-15-8-17(24-3)18(25-4)9-16(15)23-2/h8-10,14H,5-7,11-12H2,1-4H3,(H,20,21)/p+1/t14-/m0/s1