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

Systemtic Name: 3-[3-methoxy-6,12-bis(oxidanylidene)-11-propyl-benzo[c][1,5]benzodiazocin-5-yl]propyl-dimethyl-azanium Openeye Name: 3-(3-methoxy-6,12-dioxo-11-propyl-benzo[c][1,5]benzodiazocin-5-yl)propyl-dimethyl-ammonium CAS Name: 3-(3-methoxy-6,12-dioxo-11-propyl-5-benzo[c][1,5]benzodiazocinyl)propyl-dimethylammonium IUPAC Name: 3-(3-methoxy-6,12-dioxo-11-propylbenzo[c][1,5]benzodiazocin-5-yl)propyl-dimethylazanium Traditional Name: 3-(6,12-diketo-3-methoxy-11-propyl-benzo[c][1,5]benzodiazocin-5-yl)propyl-dimethyl-ammonium Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=O)N(C3=C(C1=O)C=CC(=C3)OC)CCC[NH+](C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=O)N(C3=C(C1=O)C=CC(=C3)OC)CCC[NH+](C)C

InChI

InChI=1S/C23H29N3O3/c1-5-13-25-20-10-7-6-9-18(20)22(27)26(15-8-14-24(2)3)21-16-17(29-4)11-12-19(21)23(25)28/h6-7,9-12,16H,5,8,13-15H2,1-4H3/p+1