2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-[3-(1-pyrazolyl)propyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3,5-dimethoxybenzyl)-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol Formula: C21H33N4O3+ MolecularWeight: 389.51172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CC[NH+](CC2CCO)CCCN3C=CC=N3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CCCN3C=CC=N3)OC

InChI

InChI=1S/C21H32N4O3/c1-27-20-13-18(14-21(15-20)28-2)16-24-11-10-23(17-19(24)5-12-26)7-4-9-25-8-3-6-22-25/h3,6,8,13-15,19,26H,4-5,7,9-12,16-17H2,1-2H3/p+1/t19-/m0/s1