1-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)butan-2-one

Systemtic Name: 1-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)butan-2-one Openeye Name: 1-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)butan-2-one CAS Name: 1-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-2-butanone IUPAC Name: 1-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)butan-2-one Traditional Name: 1-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)butan-2-one Formula: C11H17N2OS+ MolecularWeight: 225.33048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C[N+]1=C(SC2=C1CCCC2)N

Isomeric SMILES

CCC(=O)C[N+]1=C(SC2=C1CCCC2)N

InChI

InChI=1S/C11H16N2OS/c1-2-8(14)7-13-9-5-3-4-6-10(9)15-11(13)12/h12H,2-7H2,1H3/p+1