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

Systemtic Name: 1-azanyl-2-(4-methylpiperazin-4-ium-1-yl)-4-(propan-2-ylamino)anthracene-9,10-dione Openeye Name: 1-amino-4-(isopropylamino)-2-(4-methylpiperazin-4-ium-1-yl)anthracene-9,10-dione CAS Name: 1-amino-2-(4-methyl-1-piperazin-4-iumyl)-4-(propan-2-ylamino)anthracene-9,10-dione IUPAC Name: 1-amino-2-(4-methylpiperazin-4-ium-1-yl)-4-(propan-2-ylamino)anthracene-9,10-dione Traditional Name: 1-amino-4-(isopropylamino)-2-(4-methylpiperazin-4-ium-1-yl)-9,10-anthraquinone Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C2C(=C(C(=C1)N3CC[NH+](CC3)C)N)C(=O)C4=CC=CC=C4C2=O

Isomeric SMILES

CC(C)NC1=C2C(=C(C(=C1)N3CC[NH+](CC3)C)N)C(=O)C4=CC=CC=C4C2=O

InChI

InChI=1S/C22H26N4O2/c1-13(2)24-16-12-17(26-10-8-25(3)9-11-26)20(23)19-18(16)21(27)14-6-4-5-7-15(14)22(19)28/h4-7,12-13,24H,8-11,23H2,1-3H3/p+1