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

Systemtic Name: 1-azanyl-2-(4-methylpiperazin-4-ium-1-yl)-4-(2-methylpropylamino)anthracene-9,10-dione Openeye Name: 1-amino-4-(isobutylamino)-2-(4-methylpiperazin-4-ium-1-yl)anthracene-9,10-dione CAS Name: 1-amino-2-(4-methyl-1-piperazin-4-iumyl)-4-(2-methylpropylamino)anthracene-9,10-dione IUPAC Name: 1-amino-2-(4-methylpiperazin-4-ium-1-yl)-4-(2-methylpropylamino)anthracene-9,10-dione Traditional Name: 1-amino-4-(isobutylamino)-2-(4-methylpiperazin-4-ium-1-yl)-9,10-anthraquinone Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C2C(=C(C(=C1)N3CC[NH+](CC3)C)N)C(=O)C4=CC=CC=C4C2=O

Isomeric SMILES

CC(C)CNC1=C2C(=C(C(=C1)N3CC[NH+](CC3)C)N)C(=O)C4=CC=CC=C4C2=O

InChI

InChI=1S/C23H28N4O2/c1-14(2)13-25-17-12-18(27-10-8-26(3)9-11-27)21(24)20-19(17)22(28)15-6-4-5-7-16(15)23(20)29/h4-7,12,14,25H,8-11,13,24H2,1-3H3/p+1