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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-3-piperidyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-methylazanium Traditional Name: [(3S)-1-[(5-carbethoxy-1H-pyrazol-4-yl)methyl]-3-piperidyl]-homoveratryl-methyl-ammonium Formula: C23H35N4O4+ MolecularWeight: 431.5484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)CN2CCCC(C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)CN2CCC[C@@H](C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H34N4O4/c1-5-31-23(28)22-18(14-24-25-22)15-27-11-6-7-19(16-27)26(2)12-10-17-8-9-20(29-3)21(13-17)30-4/h8-9,13-14,19H,5-7,10-12,15-16H2,1-4H3,(H,24,25)/p+1/t19-/m0/s1