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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-piperidyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(1-ethyl-4-pyrazolyl)methyl]-3-piperidinyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-methylazanium Traditional Name: [(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-piperidyl]-homoveratryl-methyl-ammonium Formula: C22H35N4O2+ MolecularWeight: 387.5389

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O2/c1-5-26-16-19(14-23-26)15-25-11-6-7-20(17-25)24(2)12-10-18-8-9-21(27-3)22(13-18)28-4/h8-9,13-14,16,20H,5-7,10-12,15,17H2,1-4H3/p+1/t20-/m0/s1