3-[11-ethyl-6,12-bis(oxidanylidene)benzo[c][1,5]benzodiazocin-5-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[11-ethyl-6,12-bis(oxidanylidene)benzo[c][1,5]benzodiazocin-5-yl]propyl-dimethyl-azanium Openeye Name: 3-(11-ethyl-6,12-dioxo-benzo[c][1,5]benzodiazocin-5-yl)propyl-dimethyl-ammonium CAS Name: 3-(11-ethyl-6,12-dioxo-5-benzo[c][1,5]benzodiazocinyl)propyl-dimethylammonium IUPAC Name: 3-(11-ethyl-6,12-dioxobenzo[c][1,5]benzodiazocin-5-yl)propyl-dimethylazanium Traditional Name: 3-(11-ethyl-6,12-diketo-benzo[c][1,5]benzodiazocin-5-yl)propyl-dimethyl-ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C3C1=O)CCC[NH+](C)C

Isomeric SMILES

CCN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C3C1=O)CCC[NH+](C)C

InChI

InChI=1S/C21H25N3O2/c1-4-23-18-12-7-5-10-16(18)21(26)24(15-9-14-22(2)3)19-13-8-6-11-17(19)20(23)25/h5-8,10-13H,4,9,14-15H2,1-3H3/p+1