7-chloranyl-4-methyl-2-piperazin-4-ium-1-yl-1,3-benzothiazole

Systemtic Name: 7-chloranyl-4-methyl-2-piperazin-4-ium-1-yl-1,3-benzothiazole Openeye Name: 7-chloro-4-methyl-2-piperazin-4-ium-1-yl-1,3-benzothiazole CAS Name: 7-chloro-4-methyl-2-(1-piperazin-4-iumyl)-1,3-benzothiazole IUPAC Name: 7-chloro-4-methyl-2-piperazin-4-ium-1-yl-1,3-benzothiazole Traditional Name: 7-chloro-4-methyl-2-piperazin-4-ium-1-yl-1,3-benzothiazole Formula: C12H15ClN3S+ MolecularWeight: 268.7856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N3CC[NH2+]CC3

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N3CC[NH2+]CC3

InChI

InChI=1S/C12H14ClN3S/c1-8-2-3-9(13)11-10(8)15-12(17-11)16-6-4-14-5-7-16/h2-3,14H,4-7H2,1H3/p+1