4-(1H-benzimidazol-2-yl)-1-ethyl-7-methyl-quinolin-1-ium; ethyl sulfate

Systemtic Name: 4-(1H-benzimidazol-2-yl)-1-ethyl-7-methyl-quinolin-1-ium; ethyl sulfate Openeye Name: 4-(1H-benzimidazol-2-yl)-1-ethyl-7-methyl-quinolin-1-ium; ethyl sulfate CAS Name: 4-(1H-benzimidazol-2-yl)-1-ethyl-7-methylquinolin-1-ium; ethyl sulfate IUPAC Name: 4-(1H-benzimidazol-2-yl)-1-ethyl-7-methylquinolin-1-ium; ethyl sulfate Traditional Name: 4-(1H-benzimidazol-2-yl)-1-ethyl-7-methyl-quinolin-1-ium; ethyl sulfate Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=C(C=CC2=C(C=C1)C3=NC4=CC=CC=C4N3)C.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C2C=C(C=CC2=C(C=C1)C3=NC4=CC=CC=C4N3)C.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C19H17N3.C2H6O4S/c1-3-22-11-10-15(14-9-8-13(2)12-18(14)22)19-20-16-6-4-5-7-17(16)21-19;1-2-6-7(3,4)5/h4-12H,3H2,1-2H3;2H2,1H3,(H,3,4,5)