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

Systemtic Name: 3-[6,12-bis(oxidanylidene)-11-propyl-benzo[c][1,5]benzodiazocin-5-yl]propyl-dimethyl-azanium Openeye Name: 3-(6,12-dioxo-11-propyl-benzo[c][1,5]benzodiazocin-5-yl)propyl-dimethyl-ammonium CAS Name: 3-(6,12-dioxo-11-propyl-5-benzo[c][1,5]benzodiazocinyl)propyl-dimethylammonium IUPAC Name: 3-(6,12-dioxo-11-propylbenzo[c][1,5]benzodiazocin-5-yl)propyl-dimethylazanium Traditional Name: 3-(6,12-diketo-11-propyl-benzo[c][1,5]benzodiazocin-5-yl)propyl-dimethyl-ammonium Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C3C1=O)CCC[NH+](C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C3C1=O)CCC[NH+](C)C

InChI

InChI=1S/C22H27N3O2/c1-4-14-24-19-12-7-5-10-17(19)22(27)25(16-9-15-23(2)3)20-13-8-6-11-18(20)21(24)26/h5-8,10-13H,4,9,14-16H2,1-3H3/p+1