1-[bis(2-chloroethyl)amino]benzimidazol-1-ium-1-carboxylic acid

Systemtic Name: 1-[bis(2-chloroethyl)amino]benzimidazol-1-ium-1-carboxylic acid Openeye Name: 1-[bis(2-chloroethyl)amino]benzimidazol-1-ium-1-carboxylic acid CAS Name: 1-[bis(2-chloroethyl)amino]-1-benzimidazol-1-iumcarboxylic acid IUPAC Name: 1-[bis(2-chloroethyl)amino]benzimidazol-1-ium-1-carboxylic acid Traditional Name: 1-[bis(2-chloroethyl)amino]benzimidazol-1-ium-1-carboxylic acid Formula: C12H14Cl2N3O2+ MolecularWeight: 303.16446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C[N+]2(C(=O)O)N(CCCl)CCCl

Isomeric SMILES

C1=CC=C2C(=C1)N=C[N+]2(C(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C12H13Cl2N3O2/c13-5-7-16(8-6-14)17(12(18)19)9-15-10-3-1-2-4-11(10)17/h1-4,9H,5-8H2/p+1