methyl 6-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioyl]amino]hexanoate Traditional Name: 6-[[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C17H29N4O3S+ MolecularWeight: 369.50216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C17H28N4O3S/c1-14-12-15(19-24-14)13-20-8-10-21(11-9-20)17(25)18-7-5-3-4-6-16(22)23-2/h12H,3-11,13H2,1-2H3,(H,18,25)/p+1