1-azanyl-4-(2-hydroxyethylamino)-2-(4-methylpiperazin-4-ium-1-yl)anthracene-9,10-dione

Systemtic Name: 1-azanyl-4-(2-hydroxyethylamino)-2-(4-methylpiperazin-4-ium-1-yl)anthracene-9,10-dione Openeye Name: 1-amino-4-(2-hydroxyethylamino)-2-(4-methylpiperazin-4-ium-1-yl)anthracene-9,10-dione CAS Name: 1-amino-4-(2-hydroxyethylamino)-2-(4-methyl-1-piperazin-4-iumyl)anthracene-9,10-dione IUPAC Name: 1-amino-4-(2-hydroxyethylamino)-2-(4-methylpiperazin-4-ium-1-yl)anthracene-9,10-dione Traditional Name: 1-amino-4-(2-hydroxyethylamino)-2-(4-methylpiperazin-4-ium-1-yl)-9,10-anthraquinone Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)NCCO

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)NCCO

InChI

InChI=1S/C21H24N4O3/c1-24-7-9-25(10-8-24)16-12-15(23-6-11-26)17-18(19(16)22)21(28)14-5-3-2-4-13(14)20(17)27/h2-5,12,23,26H,6-11,22H2,1H3/p+1