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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(2-methylpyrazol-3-yl)carbonylpiperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(2-methylpyrazole-3-carbonyl)-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(2-methyl-3-pyrazolyl)-oxomethyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-(2-methylpyrazole-3-carbonyl)-3-piperidyl]ammonium Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)N2CCCC(C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C(=CC=N1)C(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H30N4O3/c1-23(13-10-16-7-8-19(27-3)20(14-16)28-4)17-6-5-12-25(15-17)21(26)18-9-11-22-24(18)2/h7-9,11,14,17H,5-6,10,12-13,15H2,1-4H3/p+1/t17-/m0/s1