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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=CN(N=C3C4=CC=CC=C4)C

Isomeric SMILES

CCOC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=CN(N=C3C4=CC=CC=C4)C

InChI

InChI=1S/C26H34N4O2/c1-3-32-25-12-8-7-11-22(25)19-30-15-14-29(20-24(30)13-16-31)18-23-17-28(2)27-26(23)21-9-5-4-6-10-21/h4-12,17,24,31H,3,13-16,18-20H2,1-2H3/p+1/t24-/m0/s1