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

Systemtic Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[[3-(1-pyrazolyl)phenyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-m-anisyl-4-(3-pyrazol-1-ylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC[NH+](CC2CCO)CC3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C24H30N4O2/c1-30-24-8-3-6-21(16-24)18-27-13-12-26(19-23(27)9-14-29)17-20-5-2-7-22(15-20)28-11-4-10-25-28/h2-8,10-11,15-16,23,29H,9,12-14,17-19H2,1H3/p+1/t23-/m0/s1