3-[[(E)-[2,4-bis(oxidanylidene)-5,6,7,8-tetrahydro-1H-quinolin-3-ylidene]-oxidanyl-methyl]amino]propyl-diethyl-prop-2-enyl-azanium bromide

Systemtic Name: 3-[[(E)-[2,4-bis(oxidanylidene)-5,6,7,8-tetrahydro-1H-quinolin-3-ylidene]-oxidanyl-methyl]amino]propyl-diethyl-prop-2-enyl-azanium bromide Openeye Name: allyl-[3-[[(E)-(2,4-dioxo-5,6,7,8-tetrahydro-1H-quinolin-3-ylidene)-hydroxy-methyl]amino]propyl]-diethyl-ammonium bromide CAS Name: 3-[[(E)-(2,4-dioxo-5,6,7,8-tetrahydro-1H-quinolin-3-ylidene)-hydroxymethyl]amino]propyl-diethyl-prop-2-enylammonium bromide IUPAC Name: 3-[[(E)-(2,4-dioxo-5,6,7,8-tetrahydro-1H-quinolin-3-ylidene)-hydroxymethyl]amino]propyl-diethyl-prop-2-enylazanium bromide Traditional Name: allyl-[3-[[(E)-(2,4-diketo-5,6,7,8-tetrahydro-1H-quinolin-3-ylidene)-hydroxy-methyl]amino]propyl]-diethyl-ammonium bromide Formula: C20H32BrN3O3 MolecularWeight: 442.39038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCCNC(=C1C(=O)C2=C(CCCC2)NC1=O)O)CC=C.[Br-]

Isomeric SMILES

CC[N+](CC)(CCCN/C(=C\1/C(=O)C2=C(CCCC2)NC1=O)/O)CC=C.[Br-]

InChI

InChI=1S/C20H31N3O3.BrH/c1-4-13-23(5-2,6-3)14-9-12-21-19(25)17-18(24)15-10-7-8-11-16(15)22-20(17)26;/h4H,1,5-14H2,2-3H3,(H2-,21,22,24,25,26);1H