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

Systemtic Name: 1-azanyl-4-(cyclohexylamino)-2-(4-methylpiperazin-4-ium-1-yl)anthracene-9,10-dione Openeye Name: 1-amino-4-(cyclohexylamino)-2-(4-methylpiperazin-4-ium-1-yl)anthracene-9,10-dione CAS Name: 1-amino-4-(cyclohexylamino)-2-(4-methyl-1-piperazin-4-iumyl)anthracene-9,10-dione IUPAC Name: 1-amino-4-(cyclohexylamino)-2-(4-methylpiperazin-4-ium-1-yl)anthracene-9,10-dione Traditional Name: 1-amino-4-(cyclohexylamino)-2-(4-methylpiperazin-4-ium-1-yl)-9,10-anthraquinone Formula: C25H31N4O2+ MolecularWeight: 419.53924

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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)NC5CCCCC5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)NC5CCCCC5

InChI

InChI=1S/C25H30N4O2/c1-28-11-13-29(14-12-28)20-15-19(27-16-7-3-2-4-8-16)21-22(23(20)26)25(31)18-10-6-5-9-17(18)24(21)30/h5-6,9-10,15-16,27H,2-4,7-8,11-14,26H2,1H3/p+1