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

Systemtic Name: 2-[(2S)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCN(C(C3)CCO)CC4=CC=CS4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCN([C@H](C3)CCO)CC4=CC=CS4

InChI

InChI=1S/C22H28N4OS/c1-24-14-19(22(23-24)18-6-3-2-4-7-18)15-25-10-11-26(20(16-25)9-12-27)17-21-8-5-13-28-21/h2-8,13-14,20,27H,9-12,15-17H2,1H3/p+1/t20-/m0/s1