2-(4-methylpiperazin-4-ium-1-yl)sulfonylanthracene-9,10-dione

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)sulfonylanthracene-9,10-dione Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)sulfonylanthracene-9,10-dione CAS Name: 2-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]anthracene-9,10-dione IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)sulfonylanthracene-9,10-dione Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)sulfonyl-9,10-anthraquinone Formula: C19H19N2O4S+ MolecularWeight: 371.43016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H18N2O4S/c1-20-8-10-21(11-9-20)26(24,25)13-6-7-16-17(12-13)19(23)15-5-3-2-4-14(15)18(16)22/h2-7,12H,8-11H2,1H3/p+1