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

Systemtic Name: 5-chloranyl-4-methyl-2-piperazin-4-ium-1-yl-1,3-benzothiazole Openeye Name: 5-chloro-4-methyl-2-piperazin-4-ium-1-yl-1,3-benzothiazole CAS Name: 5-chloro-4-methyl-2-(1-piperazin-4-iumyl)-1,3-benzothiazole IUPAC Name: 5-chloro-4-methyl-2-piperazin-4-ium-1-yl-1,3-benzothiazole Traditional Name: 5-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=C(C=CC2=C1N=C(S2)N3CC[NH2+]CC3)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N3CC[NH2+]CC3)Cl

InChI

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