1-[bis(2-chloroethyl)amino-(phenylcarbonyl)amino]-1-methyl-benzimidazol-1-ium-4-carboxylic acid

Systemtic Name: 1-[bis(2-chloroethyl)amino-(phenylcarbonyl)amino]-1-methyl-benzimidazol-1-ium-4-carboxylic acid Openeye Name: 1-[benzoyl-[bis(2-chloroethyl)amino]amino]-1-methyl-benzimidazol-1-ium-4-carboxylic acid CAS Name: 1-[benzoyl-[bis(2-chloroethyl)amino]amino]-1-methyl-4-benzimidazol-1-iumcarboxylic acid IUPAC Name: 1-[benzoyl-[bis(2-chloroethyl)amino]amino]-1-methylbenzimidazol-1-ium-4-carboxylic acid Traditional Name: 1-[benzoyl-[bis(2-chloroethyl)amino]amino]-1-methyl-benzimidazol-1-ium-4-carboxylic acid Formula: C20H21Cl2N4O3+ MolecularWeight: 436.31174

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=NC2=C(C=CC=C21)C(=O)O)N(C(=O)C3=CC=CC=C3)N(CCCl)CCCl

Isomeric SMILES

C[N+]1(C=NC2=C(C=CC=C21)C(=O)O)N(C(=O)C3=CC=CC=C3)N(CCCl)CCCl

InChI

InChI=1S/C20H20Cl2N4O3/c1-26(14-23-18-16(20(28)29)8-5-9-17(18)26)25(24(12-10-21)13-11-22)19(27)15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3/p+1