3-[bis(2-chloroethyl)amino]-2H-1,3-benzothiazol-3-ium-3-carboxylic acid

Systemtic Name: 3-[bis(2-chloroethyl)amino]-2H-1,3-benzothiazol-3-ium-3-carboxylic acid Openeye Name: 3-[bis(2-chloroethyl)amino]-2H-1,3-benzothiazol-3-ium-3-carboxylic acid CAS Name: 3-[bis(2-chloroethyl)amino]-2H-1,3-benzothiazol-3-ium-3-carboxylic acid IUPAC Name: 3-[bis(2-chloroethyl)amino]-2H-1,3-benzothiazol-3-ium-3-carboxylic acid Traditional Name: 3-[bis(2-chloroethyl)amino]-2H-1,3-benzothiazol-3-ium-3-carboxylic acid Formula: C12H15Cl2N2O2S+ MolecularWeight: 322.2307

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Descriptors Computed from Structure

Canonical SMILES:

C1[N+](C2=CC=CC=C2S1)(C(=O)O)N(CCCl)CCCl

Isomeric SMILES

C1[N+](C2=CC=CC=C2S1)(C(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C12H14Cl2N2O2S/c13-5-7-15(8-6-14)16(12(17)18)9-19-11-4-2-1-3-10(11)16/h1-4H,5-9H2/p+1