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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(1H-pyrazol-5-ylmethyl)-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(1H-pyrazol-5-ylmethyl)-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-(1H-pyrazol-5-ylmethyl)-3-piperidyl]ammonium Formula: C20H31N4O2+ MolecularWeight: 359.48574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)CC3=CC=NN3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)CC3=CC=NN3

InChI

InChI=1S/C20H30N4O2/c1-23(12-9-16-6-7-19(25-2)20(13-16)26-3)18-5-4-11-24(15-18)14-17-8-10-21-22-17/h6-8,10,13,18H,4-5,9,11-12,14-15H2,1-3H3,(H,21,22)/p+1/t18-/m0/s1