2-(6-azanylhexyl)-5-nitro-1,2-benzothiazol-3-one hydrochloride

Systemtic Name: 2-(6-azanylhexyl)-5-nitro-1,2-benzothiazol-3-one hydrochloride Openeye Name: 2-(6-aminohexyl)-5-nitro-1,2-benzothiazol-3-one hydrochloride CAS Name: 2-(6-aminohexyl)-5-nitro-1,2-benzothiazol-3-one hydrochloride IUPAC Name: 2-(6-aminohexyl)-5-nitro-1,2-benzothiazol-3-one hydrochloride Traditional Name: 2-(6-aminohexyl)-5-nitro-1,2-benzothiazol-3-one hydrochloride Formula: C13H18ClN3O3S MolecularWeight: 331.81832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(S2)CCCCCCN.Cl

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(S2)CCCCCCN.Cl

InChI

InChI=1S/C13H17N3O3S.ClH/c14-7-3-1-2-4-8-15-13(17)11-9-10(16(18)19)5-6-12(11)20-15;/h5-6,9H,1-4,7-8,14H2;1H