[(E)-4-ethoxy-3-methyl-4-oxidanylidene-but-2-enyl]-dimethyl-[(6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-yl]azanium bromide

Systemtic Name: [(E)-4-ethoxy-3-methyl-4-oxidanylidene-but-2-enyl]-dimethyl-[(6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-yl]azanium bromide Openeye Name: [(E)-6-benzyloxy-1-[1-(benzyloxymethyl)vinyl]-4-methyl-hex-4-enyl]-[(E)-4-ethoxy-3-methyl-4-oxo-but-2-enyl]-dimethyl-ammonium bromide CAS Name: [(E)-4-ethoxy-3-methyl-4-oxobut-2-enyl]-dimethyl-[(6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-yl]ammonium bromide IUPAC Name: [(E)-4-ethoxy-3-methyl-4-oxobut-2-enyl]-dimethyl-[(6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-yl]azanium bromide Traditional Name: [(E)-6-benzoxy-1-[1-(benzoxymethyl)vinyl]-4-methyl-hex-4-enyl]-[(E)-4-ethoxy-4-keto-3-methyl-but-2-enyl]-dimethyl-ammonium bromide Formula: C33H46BrNO4 MolecularWeight: 600.62664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC[N+](C)(C)C(CCC(=CCOCC1=CC=CC=C1)C)C(=C)COCC2=CC=CC=C2)C.[Br-]

Isomeric SMILES

CCOC(=O)/C(=C/C[N+](C)(C)C(CC/C(=C/COCC1=CC=CC=C1)/C)C(=C)COCC2=CC=CC=C2)/C.[Br-]

InChI

InChI=1S/C33H46NO4.BrH/c1-7-38-33(35)28(3)20-22-34(5,6)32(29(4)24-37-26-31-16-12-9-13-17-31)19-18-27(2)21-23-36-25-30-14-10-8-11-15-30;/h8-17,20-21,32H,4,7,18-19,22-26H2,1-3,5-6H3;1H/q+1;/p-1/b27-21+,28-20+;