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

Systemtic Name: 2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-(3-thiophenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C17H27N4OS+ MolecularWeight: 335.48748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCN(C(C2)CCO)CC3=CSC=C3)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCN([C@H](C2)CCO)CC3=CSC=C3)C

InChI

InChI=1S/C17H26N4OS/c1-14-16(10-19(2)18-14)11-20-5-6-21(17(12-20)3-7-22)9-15-4-8-23-13-15/h4,8,10,13,17,22H,3,5-7,9,11-12H2,1-2H3/p+1/t17-/m0/s1