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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN2CCCC(C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CCN1C(=C(C=N1)CN2CCC[C@@H](C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C23H36N4O2/c1-6-27-18(2)20(15-24-27)16-26-12-7-8-21(17-26)25(3)13-11-19-9-10-22(28-4)23(14-19)29-5/h9-10,14-15,21H,6-8,11-13,16-17H2,1-5H3/p+1/t21-/m0/s1