4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)benzaldehyde; 4-methylbenzenesulfonate

Systemtic Name: 4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)benzaldehyde; 4-methylbenzenesulfonate Openeye Name: 4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)benzaldehyde; 4-methylbenzenesulfonate CAS Name: 4-(1,6-dimethyl-2-imidazo[1,2-a]pyridin-4-iumyl)benzaldehyde; 4-methylbenzenesulfonate IUPAC Name: 4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)benzaldehyde; 4-methylbenzenesulfonate Traditional Name: 4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)benzaldehyde tosylate Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C[N+]2=C(C=C1)N(C(=C2)C3=CC=C(C=C3)C=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C[N+]2=C(C=C1)N(C(=C2)C3=CC=C(C=C3)C=O)C

InChI

InChI=1S/C16H15N2O.C7H8O3S/c1-12-3-8-16-17(2)15(10-18(16)9-12)14-6-4-13(11-19)5-7-14;1-6-2-4-7(5-3-6)11(8,9)10/h3-11H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1