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

Systemtic Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[(1-methyl-4-pyrazolyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methoxy-3-methyl-benzyl)-4-[(1-methylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C20H31N4O2+ MolecularWeight: 359.48574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O2/c1-16-10-17(4-5-20(16)26-3)14-24-8-7-23(15-19(24)6-9-25)13-18-11-21-22(2)12-18/h4-5,10-12,19,25H,6-9,13-15H2,1-3H3/p+1/t19-/m0/s1