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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C=CC=N2)C[NH+]3CCN(C(C3)CCO)CC4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=C1)N2C=CC=N2)C[NH+]3CCN([C@H](C3)CCO)CC4=CC=CS4

InChI

InChI=1S/C22H28N4OS/c1-18-14-20(26-9-3-8-23-26)6-5-19(18)15-24-10-11-25(21(16-24)7-12-27)17-22-4-2-13-28-22/h2-6,8-9,13-14,21,27H,7,10-12,15-17H2,1H3/p+1/t21-/m0/s1