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

Systemtic Name: 3-[[4-azanyl-3-(azepan-1-yl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-amino-3-(azepan-1-yl)-9,10-dioxo-1-anthryl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-amino-3-(1-azepanyl)-9,10-dioxo-1-anthracenyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-amino-3-(azepan-1-yl)-9,10-dioxoanthracen-1-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-amino-3-(azepan-1-yl)-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=C2C(=C(C(=C1)N3CCCCCC3)N)C(=O)C4=CC=CC=C4C2=O

Isomeric SMILES

C[NH+](C)CCCNC1=C2C(=C(C(=C1)N3CCCCCC3)N)C(=O)C4=CC=CC=C4C2=O

InChI

InChI=1S/C25H32N4O2/c1-28(2)13-9-12-27-19-16-20(29-14-7-3-4-8-15-29)23(26)22-21(19)24(30)17-10-5-6-11-18(17)25(22)31/h5-6,10-11,16,27H,3-4,7-9,12-15,26H2,1-2H3/p+1