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

Systemtic Name: 3-[[4-azanyl-3-(cyclohexylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-amino-3-(cyclohexylamino)-9,10-dioxo-1-anthryl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-amino-3-(cyclohexylamino)-9,10-dioxo-1-anthracenyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-amino-3-(cyclohexylamino)-9,10-dioxoanthracen-1-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-amino-3-(cyclohexylamino)-9,10-diketo-1-anthryl]amino]propyl-dimethyl-ammonium Formula: C25H33N4O2+ MolecularWeight: 421.55512

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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)NC4CCCCC4

Isomeric SMILES

C[NH+](C)CCCNC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)NC4CCCCC4

InChI

InChI=1S/C25H32N4O2/c1-29(2)14-8-13-27-19-15-20(28-16-9-4-3-5-10-16)23(26)22-21(19)24(30)17-11-6-7-12-18(17)25(22)31/h6-7,11-12,15-16,27-28H,3-5,8-10,13-14,26H2,1-2H3/p+1