[3-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-2,2-dimethyl-propyl]-[6-[dimethyl-[4-(1,2-oxazol-3-yloxy)but-2-ynyl]azaniumyl]hexyl]-dimethyl-azanium

Systemtic Name: [3-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-2,2-dimethyl-propyl]-[6-[dimethyl-[4-(1,2-oxazol-3-yloxy)but-2-ynyl]azaniumyl]hexyl]-dimethyl-azanium Openeye Name: [3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-2,2-dimethyl-propyl]-[6-[4-isoxazol-3-yloxybut-2-ynyl(dimethyl)ammonio]hexyl]-dimethyl-ammonium CAS Name: [3-(1,3-dioxo-2-benzo[de]isoquinolinyl)-2,2-dimethylpropyl]-[6-[4-(3-isoxazolyloxy)but-2-ynyl-dimethylammonio]hexyl]-dimethylammonium IUPAC Name: 6-[dimethyl-[4-(1,2-oxazol-3-yloxy)but-2-ynyl]azaniumyl]hexyl-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-(1,3-diketobenzo[de]isoquinolin-2-yl)-2,2-dimethyl-propyl]-[6-[4-isoxazol-3-yloxybut-2-ynyl(dimethyl)ammonio]hexyl]-dimethyl-ammonium Formula: C34H46N4O4+2 MolecularWeight: 574.75344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC4=NOC=C4

Isomeric SMILES

CC(C)(CN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC4=NOC=C4

InChI

InChI=1S/C34H46N4O4/c1-34(2,25-36-32(39)28-17-13-15-27-16-14-18-29(31(27)28)33(36)40)26-38(5,6)22-10-8-7-9-20-37(3,4)21-11-12-23-41-30-19-24-42-35-30/h13-19,24H,7-10,20-23,25-26H2,1-6H3/q+2