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

Systemtic Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[[2-methyl-4-(1-pyrazolyl)phenyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methoxy-3-methyl-benzyl)-4-(2-methyl-4-pyrazol-1-yl-benzyl)piperazin-4-ium-2-yl]ethanol Formula: C26H35N4O2+ MolecularWeight: 435.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CC[NH+](CC2CCO)CC3=C(C=C(C=C3)N4C=CC=N4)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=C(C=C(C=C3)N4C=CC=N4)C)OC

InChI

InChI=1S/C26H34N4O2/c1-20-16-24(30-11-4-10-27-30)7-6-23(20)18-28-12-13-29(25(19-28)9-14-31)17-22-5-8-26(32-3)21(2)15-22/h4-8,10-11,15-16,25,31H,9,12-14,17-19H2,1-3H3/p+1/t25-/m0/s1