4-methylbenzenesulfonate; 10-methyl-9-phenyl-acridin-10-ium

Systemtic Name: 4-methylbenzenesulfonate; 10-methyl-9-phenyl-acridin-10-ium Openeye Name: 4-methylbenzenesulfonate; 10-methyl-9-phenyl-acridin-10-ium CAS Name: 4-methylbenzenesulfonate; 10-methyl-9-phenylacridin-10-ium IUPAC Name: 4-methylbenzenesulfonate; 10-methyl-9-phenylacridin-10-ium Traditional Name: 10-methyl-9-phenyl-acridin-10-ium tosylate Formula: C27H23NO3S MolecularWeight: 441.54142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4

InChI

InChI=1S/C20H16N.C7H8O3S/c1-21-18-13-7-5-11-16(18)20(15-9-3-2-4-10-15)17-12-6-8-14-19(17)21;1-6-2-4-7(5-3-6)11(8,9)10/h2-14H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1