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

Systemtic Name: 1-azanyl-4-(ethylamino)-2-(4-methylpiperazin-4-ium-1-yl)anthracene-9,10-dione Openeye Name: 1-amino-4-(ethylamino)-2-(4-methylpiperazin-4-ium-1-yl)anthracene-9,10-dione CAS Name: 1-amino-4-(ethylamino)-2-(4-methyl-1-piperazin-4-iumyl)anthracene-9,10-dione IUPAC Name: 1-amino-4-(ethylamino)-2-(4-methylpiperazin-4-ium-1-yl)anthracene-9,10-dione Traditional Name: 1-amino-4-(ethylamino)-2-(4-methylpiperazin-4-ium-1-yl)-9,10-anthraquinone Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C2C(=C(C(=C1)N3CC[NH+](CC3)C)N)C(=O)C4=CC=CC=C4C2=O

Isomeric SMILES

CCNC1=C2C(=C(C(=C1)N3CC[NH+](CC3)C)N)C(=O)C4=CC=CC=C4C2=O

InChI

InChI=1S/C21H24N4O2/c1-3-23-15-12-16(25-10-8-24(2)9-11-25)19(22)18-17(15)20(26)13-6-4-5-7-14(13)21(18)27/h4-7,12,23H,3,8-11,22H2,1-2H3/p+1