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

Systemtic Name: 4-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonate Openeye Name: 4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonate CAS Name: 4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-1-butanesulfonate IUPAC Name: 4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonate Traditional Name: 4-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonate Formula: C11H18N2O3S2 MolecularWeight: 290.40222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)[N+](=C(S2)N)CCCCS(=O)(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)[N+](=C(S2)N)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C11H18N2O3S2/c12-11-13(7-3-4-8-18(14,15)16)9-5-1-2-6-10(9)17-11/h12H,1-8H2,(H,14,15,16)