4-[6-[bis(2-chloroethyl)amino]-3-methyl-1H-benzimidazol-3-ium-2-yl]butanoic acid

Systemtic Name: 4-[6-[bis(2-chloroethyl)amino]-3-methyl-1H-benzimidazol-3-ium-2-yl]butanoic acid Openeye Name: 4-[6-[bis(2-chloroethyl)amino]-3-methyl-1H-benzimidazol-3-ium-2-yl]butanoic acid CAS Name: 4-[6-[bis(2-chloroethyl)amino]-3-methyl-1H-benzimidazol-3-ium-2-yl]butanoic acid IUPAC Name: 4-[6-[bis(2-chloroethyl)amino]-3-methyl-1H-benzimidazol-3-ium-2-yl]butanoic acid Traditional Name: 4-[6-[bis(2-chloroethyl)amino]-3-methyl-1H-benzimidazol-3-ium-2-yl]butyric acid Formula: C16H22Cl2N3O2+ MolecularWeight: 359.27078

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=C1C=CC(=C2)N(CCCl)CCCl)CCCC(=O)O

Isomeric SMILES

C[N+]1=C(NC2=C1C=CC(=C2)N(CCCl)CCCl)CCCC(=O)O

InChI

InChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)/p+1