[(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

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 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 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 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 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 Formula: C33H46NO4+ MolecularWeight: 520.72264

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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

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

InChI

InChI=1S/C33H46NO4/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/q+1/b27-21+,28-20+