2-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]sulfonylanthracene-9,10-dione

Systemtic Name: 2-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]sulfonylanthracene-9,10-dione Openeye Name: 2-[4-(2-methylallyl)piperazin-4-ium-1-yl]sulfonylanthracene-9,10-dione CAS Name: 2-[[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]sulfonyl]anthracene-9,10-dione IUPAC Name: 2-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]sulfonylanthracene-9,10-dione Traditional Name: 2-[4-(2-methylallyl)piperazin-4-ium-1-yl]sulfonyl-9,10-anthraquinone Formula: C22H23N2O4S+ MolecularWeight: 411.49402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-15(2)14-23-9-11-24(12-10-23)29(27,28)16-7-8-19-20(13-16)22(26)18-6-4-3-5-17(18)21(19)25/h3-8,13H,1,9-12,14H2,2H3/p+1