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

Systemtic Name: 1-azanyl-4-(furan-2-ylmethylamino)-2-(4-methylpiperazin-4-ium-1-yl)anthracene-9,10-dione Openeye Name: 1-amino-4-(2-furylmethylamino)-2-(4-methylpiperazin-4-ium-1-yl)anthracene-9,10-dione CAS Name: 1-amino-4-(2-furanylmethylamino)-2-(4-methyl-1-piperazin-4-iumyl)anthracene-9,10-dione IUPAC Name: 1-amino-4-(furan-2-ylmethylamino)-2-(4-methylpiperazin-4-ium-1-yl)anthracene-9,10-dione Traditional Name: 1-amino-4-(2-furfurylamino)-2-(4-methylpiperazin-4-ium-1-yl)-9,10-anthraquinone Formula: C24H25N4O3+ MolecularWeight: 417.4803

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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)NCC5=CC=CO5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)NCC5=CC=CO5

InChI

InChI=1S/C24H24N4O3/c1-27-8-10-28(11-9-27)19-13-18(26-14-15-5-4-12-31-15)20-21(22(19)25)24(30)17-7-3-2-6-16(17)23(20)29/h2-7,12-13,26H,8-11,14,25H2,1H3/p+1