2-(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)-6-methoxy-1,3-benzoxazole; methyl sulfate

Systemtic Name: 2-(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)-6-methoxy-1,3-benzoxazole; methyl sulfate Openeye Name: 2-(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)-6-methoxy-1,3-benzoxazole; methyl sulfate CAS Name: 2-(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)-6-methoxy-1,3-benzoxazole; methyl sulfate IUPAC Name: 2-(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)-6-methoxy-1,3-benzoxazole; methyl sulfate Traditional Name: 2-(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)-6-methoxy-1,3-benzoxazole; methyl sulfate Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(N(C2=CC=CC=C21)C)C3=NC4=C(O3)C=C(C=C4)OC.COS(=O)(=O)[O-]

Isomeric SMILES

C[NH+]1C(N(C2=CC=CC=C21)C)C3=NC4=C(O3)C=C(C=C4)OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C17H17N3O2.CH4O4S/c1-19-13-6-4-5-7-14(13)20(2)17(19)16-18-12-9-8-11(21-3)10-15(12)22-16;1-5-6(2,3)4/h4-10,17H,1-3H3;1H3,(H,2,3,4)