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

Systemtic Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[3-(1-pyrazolyl)propyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methoxy-2,3-dimethyl-benzyl)-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)CN2CC[NH+](CC2CCO)CCCN3C=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)CN2CC[NH+](C[C@@H]2CCO)CCCN3C=CC=N3

InChI

InChI=1S/C22H34N4O2/c1-18-19(2)22(28-3)7-6-20(18)16-25-14-13-24(17-21(25)8-15-27)10-5-12-26-11-4-9-23-26/h4,6-7,9,11,21,27H,5,8,10,12-17H2,1-3H3/p+1/t21-/m0/s1