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

Systemtic Name: 4-methylbenzenesulfonic acid; 7-methyl-5-(2-pyridin-2-ylethylamino)benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile Openeye Name: 4-methylbenzenesulfonic acid; 7-methyl-5-[2-(2-pyridyl)ethylamino]benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile CAS Name: 4-methylbenzenesulfonic acid; 7-methyl-5-[2-(2-pyridinyl)ethylamino]-6-benzimidazolo[1,2-a]quinolin-12-iumcarbonitrile IUPAC Name: 4-methylbenzenesulfonic acid; 7-methyl-5-(2-pyridin-2-ylethylamino)benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile Traditional Name: 7-methyl-5-[2-(2-pyridyl)ethylamino]benzimidazolo[1,2-a]quinolin-12-ium-6-carbonitrile; tosylic acid Formula: C31H28N5O3S+ MolecularWeight: 550.65072

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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)NCCC5=CC=CC=N5)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)NCCC5=CC=CC=N5)C#N

InChI

InChI=1S/C24H19N5.C7H8O3S/c1-28-21-11-4-5-12-22(21)29-20-10-3-2-9-18(20)23(19(16-25)24(28)29)27-15-13-17-8-6-7-14-26-17;1-6-2-4-7(5-3-6)11(8,9)10/h2-12,14H,13,15H2,1H3;2-5H,1H3,(H,8,9,10)/p+1