N-butyl-10-methyl-N-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-acridin-10-ium-9-carboxamide

Systemtic Name: N-butyl-10-methyl-N-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-acridin-10-ium-9-carboxamide Openeye Name: N-butyl-10-methyl-N-(2,4,6-triisopropylphenyl)sulfonyl-acridin-10-ium-9-carboxamide CAS Name: N-butyl-10-methyl-N-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-9-acridin-10-iumcarboxamide IUPAC Name: N-butyl-10-methyl-N-[2,4,6-tri(propan-2-yl)phenyl]sulfonylacridin-10-ium-9-carboxamide Traditional Name: N-butyl-10-methyl-N-(2,4,6-triisopropylphenyl)sulfonyl-acridin-10-ium-9-carboxamide Formula: C34H43N2O3S+ MolecularWeight: 559.78182

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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=C(C=C(C=C4C(C)C)C(C)C)C(C)C

Isomeric SMILES

CCCCN(C(=O)C1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C)S(=O)(=O)C4=C(C=C(C=C4C(C)C)C(C)C)C(C)C

InChI

InChI=1S/C34H43N2O3S/c1-9-10-19-36(40(38,39)33-28(23(4)5)20-25(22(2)3)21-29(33)24(6)7)34(37)32-26-15-11-13-17-30(26)35(8)31-18-14-12-16-27(31)32/h11-18,20-24H,9-10,19H2,1-8H3/q+1