2-[(2S)-1-(3-methylbutyl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-methylbutyl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopentyl-4-[(2-phenylthiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbutyl)-4-[(2-phenyl-5-thiazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbutyl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isoamyl-4-[(2-phenylthiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C21H32N3OS+ MolecularWeight: 374.56328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCN(CC1CCO)CC2=CN=C(S2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC[NH+]1CCN(C[C@@H]1CCO)CC2=CN=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C21H31N3OS/c1-17(2)8-10-24-12-11-23(15-19(24)9-13-25)16-20-14-22-21(26-20)18-6-4-3-5-7-18/h3-7,14,17,19,25H,8-13,15-16H2,1-2H3/p+1/t19-/m0/s1