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

Systemtic Name: 1-azanyl-4-(2-methoxyethylamino)-2-(4-methylpiperazin-4-ium-1-yl)anthracene-9,10-dione Openeye Name: 1-amino-4-(2-methoxyethylamino)-2-(4-methylpiperazin-4-ium-1-yl)anthracene-9,10-dione CAS Name: 1-amino-4-(2-methoxyethylamino)-2-(4-methyl-1-piperazin-4-iumyl)anthracene-9,10-dione IUPAC Name: 1-amino-4-(2-methoxyethylamino)-2-(4-methylpiperazin-4-ium-1-yl)anthracene-9,10-dione Traditional Name: 1-amino-4-(2-methoxyethylamino)-2-(4-methylpiperazin-4-ium-1-yl)-9,10-anthraquinone Formula: C22H27N4O3+ MolecularWeight: 395.47478

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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)NCCOC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3/c1-25-8-10-26(11-9-25)17-13-16(24-7-12-29-2)18-19(20(17)23)22(28)15-6-4-3-5-14(15)21(18)27/h3-6,13,24H,7-12,23H2,1-2H3/p+1