[4-(hydroxymethyl)acridin-3-yl]-dimethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: [4-(hydroxymethyl)acridin-3-yl]-dimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: [4-(hydroxymethyl)acridin-3-yl]-dimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: [4-(hydroxymethyl)-3-acridinyl]-dimethylammonium; 4-methylbenzenesulfonate IUPAC Name: [4-(hydroxymethyl)acridin-3-yl]-dimethylazanium; 4-methylbenzenesulfonate Traditional Name: dimethyl-(4-methylolacridin-3-yl)ammonium tosylate Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH+](C)C1=C(C2=NC3=CC=CC=C3C=C2C=C1)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH+](C)C1=C(C2=NC3=CC=CC=C3C=C2C=C1)CO

InChI

InChI=1S/C16H16N2O.C7H8O3S/c1-18(2)15-8-7-12-9-11-5-3-4-6-14(11)17-16(12)13(15)10-19;1-6-2-4-7(5-3-6)11(8,9)10/h3-9,19H,10H2,1-2H3;2-5H,1H3,(H,8,9,10)