[2-(chloromethyl)-3H-benzimidazol-1-ium-5-yl]sulfonyl-(2-methoxyphenyl)azanide

Systemtic Name: [2-(chloromethyl)-3H-benzimidazol-1-ium-5-yl]sulfonyl-(2-methoxyphenyl)azanide Openeye Name: [2-(chloromethyl)-3H-benzimidazol-1-ium-5-yl]sulfonyl-(2-methoxyphenyl)azanide CAS Name: [2-(chloromethyl)-3H-benzimidazol-1-ium-5-yl]sulfonyl-(2-methoxyphenyl)azanide IUPAC Name: [2-(chloromethyl)-3H-benzimidazol-1-ium-5-yl]sulfonyl-(2-methoxyphenyl)azanide Traditional Name: [2-(chloromethyl)-3H-benzimidazol-1-ium-5-yl]sulfonyl-(2-methoxyphenyl)azanide Formula: C15H14ClN3O3S MolecularWeight: 351.80796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[N-]S(=O)(=O)C2=CC3=C(C=C2)[NH+]=C(N3)CCl

Isomeric SMILES

COC1=CC=CC=C1[N-]S(=O)(=O)C2=CC3=C(C=C2)[NH+]=C(N3)CCl

InChI

InChI=1S/C15H13ClN3O3S/c1-22-14-5-3-2-4-12(14)19-23(20,21)10-6-7-11-13(8-10)18-15(9-16)17-11/h2-8H,9H2,1H3,(H,17,18)/q-1/p+1