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

Systemtic Name: 2-[(2S)-1-(3-methylbutyl)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopentyl-4-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbutyl)-4-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbutyl)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isoamyl-4-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C20H32N3O2S+ MolecularWeight: 378.55198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)CN3CC[NH+](C(C3)CCO)CCC(C)C

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)CN3CC[NH+]([C@H](C3)CCO)CCC(C)C

InChI

InChI=1S/C20H31N3O2S/c1-15(2)6-8-23-10-9-22(13-17(23)7-11-24)14-18-16(3)25-20(21-18)19-5-4-12-26-19/h4-5,12,15,17,24H,6-11,13-14H2,1-3H3/p+1/t17-/m0/s1