2-[(2S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methoxy-2,3-dimethyl-benzyl)-4-(1H-pyrazol-5-ylmethyl)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(=C1C)OC)CN2CC[NH+](CC2CCO)CC3=CC=NN3

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=NN3

InChI

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