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

Systemtic Name: 4-methylbenzenesulfonate; methyl-[4-(propan-2-yloxymethyl)acridin-3-yl]azanium Openeye Name: [4-(isopropoxymethyl)acridin-3-yl]-methyl-ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; methyl-[4-(propan-2-yloxymethyl)-3-acridinyl]ammonium IUPAC Name: 4-methylbenzenesulfonate; methyl-[4-(propan-2-yloxymethyl)acridin-3-yl]azanium Traditional Name: [4-(isopropoxymethyl)acridin-3-yl]-methyl-ammonium tosylate Formula: C25H28N2O4S MolecularWeight: 452.56582

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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)[NH2+]C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)OCC1=C(C=CC2=CC3=CC=CC=C3N=C21)[NH2+]C

InChI

InChI=1S/C18H20N2O.C7H8O3S/c1-12(2)21-11-15-17(19-3)9-8-14-10-13-6-4-5-7-16(13)20-18(14)15;1-6-2-4-7(5-3-6)11(8,9)10/h4-10,12,19H,11H2,1-3H3;2-5H,1H3,(H,8,9,10)