2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-(3-phenylpropyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCN(C(C2)CCO)CCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCN([C@H](C2)CCO)CCCC3=CC=CC=C3)C

InChI

InChI=1S/C21H32N4O/c1-18-20(15-23(2)22-18)16-24-12-13-25(21(17-24)10-14-26)11-6-9-19-7-4-3-5-8-19/h3-5,7-8,15,21,26H,6,9-14,16-17H2,1-2H3/p+1/t21-/m0/s1