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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(1,5-dimethylpyrazol-3-yl)carbonylpiperidin-3-yl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(1,5-dimethylpyrazole-3-carbonyl)-3-piperidyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]-3-piperidinyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-methylazanium Traditional Name: [(3S)-1-(1,5-dimethylpyrazole-3-carbonyl)-3-piperidyl]-homoveratryl-methyl-ammonium Formula: C22H33N4O3+ MolecularWeight: 401.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)N2CCCC(C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=NN1C)C(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H32N4O3/c1-16-13-19(23-25(16)3)22(27)26-11-6-7-18(15-26)24(2)12-10-17-8-9-20(28-4)21(14-17)29-5/h8-9,13-14,18H,6-7,10-12,15H2,1-5H3/p+1/t18-/m0/s1