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

Systemtic Name: 2-[(2S)-4-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C20H33N4OS+ MolecularWeight: 377.56722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C)C)C[NH+]2CCN(C(C2)CCO)CC3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1C(C)C)C)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CS3

InChI

InChI=1S/C20H32N4OS/c1-15(2)24-17(4)20(16(3)21-24)14-22-8-9-23(18(12-22)7-10-25)13-19-6-5-11-26-19/h5-6,11,15,18,25H,7-10,12-14H2,1-4H3/p+1/t18-/m0/s1