2-(1,4-diazepan-4-ium-1-yl)-1,3-benzothiazole

Systemtic Name: 2-(1,4-diazepan-4-ium-1-yl)-1,3-benzothiazole Openeye Name: 2-(1,4-diazepan-4-ium-1-yl)-1,3-benzothiazole CAS Name: 2-(1,4-diazepan-4-ium-1-yl)-1,3-benzothiazole IUPAC Name: 2-(1,4-diazepan-4-ium-1-yl)-1,3-benzothiazole Traditional Name: 2-(1,4-diazepan-4-ium-1-yl)-1,3-benzothiazole Formula: C12H16N3S+ MolecularWeight: 234.34054

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C12H15N3S/c1-2-5-11-10(4-1)14-12(16-11)15-8-3-6-13-7-9-15/h1-2,4-5,13H,3,6-9H2/p+1