9-(4-hexoxyphenyl)-10-methyl-acridin-10-ium; 4-methylbenzenesulfonate

Systemtic Name: 9-(4-hexoxyphenyl)-10-methyl-acridin-10-ium; 4-methylbenzenesulfonate Openeye Name: 9-(4-hexoxyphenyl)-10-methyl-acridin-10-ium; 4-methylbenzenesulfonate CAS Name: 9-(4-hexoxyphenyl)-10-methylacridin-10-ium; 4-methylbenzenesulfonate IUPAC Name: 9-(4-hexoxyphenyl)-10-methylacridin-10-ium; 4-methylbenzenesulfonate Traditional Name: 9-(4-hexoxyphenyl)-10-methyl-acridin-10-ium tosylate Formula: C33H35NO4S MolecularWeight: 541.7003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C26H28NO.C7H8O3S/c1-3-4-5-10-19-28-21-17-15-20(16-18-21)26-22-11-6-8-13-24(22)27(2)25-14-9-7-12-23(25)26;1-6-2-4-7(5-3-6)11(8,9)10/h6-9,11-18H,3-5,10,19H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1