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

Systemtic Name: 6-chloranyl-2-(1,4-diazepan-4-ium-1-yl)-1,3-benzothiazole Openeye Name: 6-chloro-2-(1,4-diazepan-4-ium-1-yl)-1,3-benzothiazole CAS Name: 6-chloro-2-(1,4-diazepan-4-ium-1-yl)-1,3-benzothiazole IUPAC Name: 6-chloro-2-(1,4-diazepan-4-ium-1-yl)-1,3-benzothiazole Traditional Name: 6-chloro-2-(1,4-diazepan-4-ium-1-yl)-1,3-benzothiazole Formula: C12H15ClN3S+ MolecularWeight: 268.7856

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=NC3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=NC3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C12H14ClN3S/c13-9-2-3-10-11(8-9)17-12(15-10)16-6-1-4-14-5-7-16/h2-3,8,14H,1,4-7H2/p+1