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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CC[NH+](CC2CCO)CC3=CN(N=C3C4=CC=CC=C4)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CN(N=C3C4=CC=CC=C4)C)OC

InChI

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