2-(4-chloranylphenoxy)ethyl-methyl-[(6-nitro-1H-benzimidazol-2-yl)methyl]azanium

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-methyl-[(6-nitro-1H-benzimidazol-2-yl)methyl]azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-methyl-[(6-nitro-1H-benzimidazol-2-yl)methyl]ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-methyl-[(6-nitro-1H-benzimidazol-2-yl)methyl]ammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-methyl-[(6-nitro-1H-benzimidazol-2-yl)methyl]azanium Traditional Name: 2-(4-chlorophenoxy)ethyl-methyl-[(6-nitro-1H-benzimidazol-2-yl)methyl]ammonium Formula: C17H18ClN4O3+ MolecularWeight: 361.80282

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=C(C=C1)Cl)CC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CCOC1=CC=C(C=C1)Cl)CC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN4O3/c1-21(8-9-25-14-5-2-12(18)3-6-14)11-17-19-15-7-4-13(22(23)24)10-16(15)20-17/h2-7,10H,8-9,11H2,1H3,(H,19,20)/p+1