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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]-3-piperidyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]azanium Traditional Name: homoveratryl-[(3S)-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]-3-piperidyl]-methyl-ammonium Formula: C23H37N4O2+ MolecularWeight: 401.56548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=C1)CN2CCCC(C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)C1=NNC(=C1)CN2CCC[C@@H](C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H36N4O2/c1-17(2)21-14-19(24-25-21)15-27-11-6-7-20(16-27)26(3)12-10-18-8-9-22(28-4)23(13-18)29-5/h8-9,13-14,17,20H,6-7,10-12,15-16H2,1-5H3,(H,24,25)/p+1/t20-/m0/s1