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

Systemtic Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[[2-methyl-4-(1-pyrazolyl)phenyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-m-anisyl-4-(2-methyl-4-pyrazol-1-yl-benzyl)piperazin-4-ium-2-yl]ethanol Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C=CC=N2)C[NH+]3CCN(C(C3)CCO)CC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)N2C=CC=N2)C[NH+]3CCN([C@H](C3)CCO)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C25H32N4O2/c1-20-15-23(29-11-4-10-26-29)8-7-22(20)18-27-12-13-28(24(19-27)9-14-30)17-21-5-3-6-25(16-21)31-2/h3-8,10-11,15-16,24,30H,9,12-14,17-19H2,1-2H3/p+1/t24-/m0/s1