3-[4-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonyl-methyl-amino]butanoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[4-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonyl-methyl-amino]butanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[4-[(9,10-dioxo-2-anthryl)sulfonyl-methyl-amino]butanoylamino]propyl-dimethyl-ammonium CAS Name: 3-[[4-[(9,10-dioxo-2-anthracenyl)sulfonyl-methylamino]-1-oxobutyl]amino]propyl-dimethylammonium IUPAC Name: 3-[4-[(9,10-dioxoanthracen-2-yl)sulfonyl-methylamino]butanoylamino]propyl-dimethylazanium Traditional Name: 3-[4-[(9,10-diketo-2-anthryl)sulfonyl-methyl-amino]butanoylamino]propyl-dimethyl-ammonium Formula: C24H30N3O5S+ MolecularWeight: 472.5771

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)CCCN(C)S(=O)(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C[NH+](C)CCCNC(=O)CCCN(C)S(=O)(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C24H29N3O5S/c1-26(2)14-7-13-25-22(28)10-6-15-27(3)33(31,32)17-11-12-20-21(16-17)24(30)19-9-5-4-8-18(19)23(20)29/h4-5,8-9,11-12,16H,6-7,10,13-15H2,1-3H3,(H,25,28)/p+1