dimethyl-[4-(propan-2-yloxymethyl)acridin-3-yl]azanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl-[4-(propan-2-yloxymethyl)acridin-3-yl]azanium; 4-methylbenzenesulfonate Openeye Name: [4-(isopropoxymethyl)acridin-3-yl]-dimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: dimethyl-[4-(propan-2-yloxymethyl)-3-acridinyl]ammonium; 4-methylbenzenesulfonate IUPAC Name: dimethyl-[4-(propan-2-yloxymethyl)acridin-3-yl]azanium; 4-methylbenzenesulfonate Traditional Name: [4-(isopropoxymethyl)acridin-3-yl]-dimethyl-ammonium tosylate Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)OCC1=C(C=CC2=CC3=CC=CC=C3N=C21)[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)OCC1=C(C=CC2=CC3=CC=CC=C3N=C21)[NH+](C)C

InChI

InChI=1S/C19H22N2O.C7H8O3S/c1-13(2)22-12-16-18(21(3)4)10-9-15-11-14-7-5-6-8-17(14)20-19(15)16;1-6-2-4-7(5-3-6)11(8,9)10/h5-11,13H,12H2,1-4H3;2-5H,1H3,(H,8,9,10)