2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-isopropyl-1H-pyrazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(3-isopropyl-1H-pyrazol-5-yl)methyl]-1-m-anisyl-piperazin-4-ium-2-yl]ethanol Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=C1)C[NH+]2CCN(C(C2)CCO)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)C1=NNC(=C1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H32N4O2/c1-16(2)21-12-18(22-23-21)14-24-8-9-25(19(15-24)7-10-26)13-17-5-4-6-20(11-17)27-3/h4-6,11-12,16,19,26H,7-10,13-15H2,1-3H3,(H,22,23)/p+1/t19-/m0/s1