1,4-bis(azanyl)-5-[(1-methyl-3-propyl-2H-imidazol-1-ium-1-yl)amino]anthracene-9,10-dione

Systemtic Name: 1,4-bis(azanyl)-5-[(1-methyl-3-propyl-2H-imidazol-1-ium-1-yl)amino]anthracene-9,10-dione Openeye Name: 1,4-diamino-5-[(1-methyl-3-propyl-2H-imidazol-1-ium-1-yl)amino]anthracene-9,10-dione CAS Name: 1,4-diamino-5-[(1-methyl-3-propyl-2H-imidazol-1-ium-1-yl)amino]anthracene-9,10-dione IUPAC Name: 1,4-diamino-5-[(1-methyl-3-propyl-2H-imidazol-1-ium-1-yl)amino]anthracene-9,10-dione Traditional Name: 1,4-diamino-5-[(1-methyl-3-propyl-4-imidazolin-1-ium-1-yl)amino]-9,10-anthraquinone Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C[N+](C=C1)(C)NC2=CC=CC3=C2C(=O)C4=C(C=CC(=C4C3=O)N)N

Isomeric SMILES

CCCN1C[N+](C=C1)(C)NC2=CC=CC3=C2C(=O)C4=C(C=CC(=C4C3=O)N)N

InChI

InChI=1S/C21H23N5O2/c1-3-9-25-10-11-26(2,12-25)24-16-6-4-5-13-17(16)21(28)19-15(23)8-7-14(22)18(19)20(13)27/h4-8,10-11H,3,9,12H2,1-2H3,(H4-,22,23,24,27,28)/p+1