N-butyl-10-methyl-N-(4-methylphenyl)sulfonyl-acridin-10-ium-9-carboxamide

Systemtic Name: N-butyl-10-methyl-N-(4-methylphenyl)sulfonyl-acridin-10-ium-9-carboxamide Openeye Name: N-butyl-10-methyl-N-(p-tolylsulfonyl)acridin-10-ium-9-carboxamide CAS Name: N-butyl-10-methyl-N-(4-methylphenyl)sulfonyl-9-acridin-10-iumcarboxamide IUPAC Name: N-butyl-10-methyl-N-(4-methylphenyl)sulfonylacridin-10-ium-9-carboxamide Traditional Name: N-butyl-10-methyl-N-tosyl-acridin-10-ium-9-carboxamide Formula: C26H27N2O3S+ MolecularWeight: 447.56918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)C1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCN(C(=O)C1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H27N2O3S/c1-4-5-18-28(32(30,31)20-16-14-19(2)15-17-20)26(29)25-21-10-6-8-12-23(21)27(3)24-13-9-7-11-22(24)25/h6-17H,4-5,18H2,1-3H3/q+1