N-butyl-1-(2,4-dinitrophenyl)sulfonyl-10-methyl-acridin-10-ium-9-carboxamide

Systemtic Name: N-butyl-1-(2,4-dinitrophenyl)sulfonyl-10-methyl-acridin-10-ium-9-carboxamide Openeye Name: N-butyl-1-(2,4-dinitrophenyl)sulfonyl-10-methyl-acridin-10-ium-9-carboxamide CAS Name: N-butyl-1-(2,4-dinitrophenyl)sulfonyl-10-methyl-9-acridin-10-iumcarboxamide IUPAC Name: N-butyl-1-(2,4-dinitrophenyl)sulfonyl-10-methylacridin-10-ium-9-carboxamide Traditional Name: N-butyl-1-(2,4-dinitrophenyl)sulfonyl-10-methyl-acridin-10-ium-9-carboxamide Formula: C25H23N4O7S+ MolecularWeight: 523.53772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C2C(=[N+](C3=CC=CC=C31)C)C=CC=C2S(=O)(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)C1=C2C(=[N+](C3=CC=CC=C31)C)C=CC=C2S(=O)(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O7S/c1-3-4-14-26-25(30)23-17-8-5-6-9-18(17)27(2)19-10-7-11-22(24(19)23)37(35,36)21-13-12-16(28(31)32)15-20(21)29(33)34/h5-13,15H,3-4,14H2,1-2H3/p+1