1-(methylamino)-4-[3-(3-methylimidazol-3-ium-1-yl)propylamino]anthracene-9,10-dione

Systemtic Name: 1-(methylamino)-4-[3-(3-methylimidazol-3-ium-1-yl)propylamino]anthracene-9,10-dione Openeye Name: 1-(methylamino)-4-[3-(3-methylimidazol-3-ium-1-yl)propylamino]anthracene-9,10-dione CAS Name: 1-(methylamino)-4-[3-(3-methyl-1-imidazol-3-iumyl)propylamino]anthracene-9,10-dione IUPAC Name: 1-(methylamino)-4-[3-(3-methylimidazol-3-ium-1-yl)propylamino]anthracene-9,10-dione Traditional Name: 1-(methylamino)-4-[3-(3-methylimidazol-3-ium-1-yl)propylamino]-9,10-anthraquinone Formula: C22H23N4O2+ MolecularWeight: 375.44362

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C2C(=C(C=C1)NCCCN3C=C[N+](=C3)C)C(=O)C4=CC=CC=C4C2=O

Isomeric SMILES

CNC1=C2C(=C(C=C1)NCCCN3C=C[N+](=C3)C)C(=O)C4=CC=CC=C4C2=O

InChI

InChI=1S/C22H22N4O2/c1-23-17-8-9-18(24-10-5-11-26-13-12-25(2)14-26)20-19(17)21(27)15-6-3-4-7-16(15)22(20)28/h3-4,6-9,12-14H,5,10-11H2,1-2H3,(H-,23,24,27,28)/p+1