4-(1H-benzimidazol-2-yl)-1-methyl-quinolin-1-ium; methyl sulfate

Systemtic Name: 4-(1H-benzimidazol-2-yl)-1-methyl-quinolin-1-ium; methyl sulfate Openeye Name: 4-(1H-benzimidazol-2-yl)-1-methyl-quinolin-1-ium; methyl sulfate CAS Name: 4-(1H-benzimidazol-2-yl)-1-methylquinolin-1-ium; methyl sulfate IUPAC Name: 4-(1H-benzimidazol-2-yl)-1-methylquinolin-1-ium; methyl sulfate Traditional Name: 4-(1H-benzimidazol-2-yl)-1-methyl-quinolin-1-ium; methyl sulfate Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C2=CC=CC=C21)C3=NC4=CC=CC=C4N3.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C2=CC=CC=C21)C3=NC4=CC=CC=C4N3.COS(=O)(=O)[O-]

InChI

InChI=1S/C17H13N3.CH4O4S/c1-20-11-10-13(12-6-2-5-9-16(12)20)17-18-14-7-3-4-8-15(14)19-17;1-5-6(2,3)4/h2-11H,1H3;1H3,(H,2,3,4)