3-[[4-azanyl-3-(2-hydroxyethylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-azanyl-3-(2-hydroxyethylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-amino-3-(2-hydroxyethylamino)-9,10-dioxo-1-anthryl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-amino-3-(2-hydroxyethylamino)-9,10-dioxo-1-anthracenyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-amino-3-(2-hydroxyethylamino)-9,10-dioxoanthracen-1-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-amino-3-(2-hydroxyethylamino)-9,10-diketo-1-anthryl]amino]propyl-dimethyl-ammonium Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)NCCO

Isomeric SMILES

C[NH+](C)CCCNC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)NCCO

InChI

InChI=1S/C21H26N4O3/c1-25(2)10-5-8-23-15-12-16(24-9-11-26)19(22)18-17(15)20(27)13-6-3-4-7-14(13)21(18)28/h3-4,6-7,12,23-24,26H,5,8-11,22H2,1-2H3/p+1