5-(furan-2-ylmethylamino)-7-methyl-benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile; 4-methylbenzenesulfonic acid

Systemtic Name: 5-(furan-2-ylmethylamino)-7-methyl-benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile; 4-methylbenzenesulfonic acid Openeye Name: 5-(2-furylmethylamino)-7-methyl-benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile; 4-methylbenzenesulfonic acid CAS Name: 5-(2-furanylmethylamino)-7-methyl-6-benzimidazolo[1,2-a]quinolin-12-iumcarbonitrile; 4-methylbenzenesulfonic acid IUPAC Name: 5-(furan-2-ylmethylamino)-7-methylbenzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile; 4-methylbenzenesulfonic acid Traditional Name: 5-(2-furfurylamino)-7-methyl-benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile; tosylic acid Formula: C29H25N4O4S+ MolecularWeight: 525.5982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN1C2=CC=CC=C2[N+]3=C1C(=C(C4=CC=CC=C43)NCC5=CC=CO5)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN1C2=CC=CC=C2[N+]3=C1C(=C(C4=CC=CC=C43)NCC5=CC=CO5)C#N

InChI

InChI=1S/C22H16N4O.C7H8O3S/c1-25-19-10-4-5-11-20(19)26-18-9-3-2-8-16(18)21(17(13-23)22(25)26)24-14-15-7-6-12-27-15;1-6-2-4-7(5-3-6)11(8,9)10/h2-12H,14H2,1H3;2-5H,1H3,(H,8,9,10)/p+1