octan-2-yl 4-[4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]-3-oxidanylidene-butanoate bromide

Systemtic Name: octan-2-yl 4-[4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]-3-oxidanylidene-butanoate bromide Openeye Name: 1-methylheptyl 4-[4-[(E)-2-(1-naphthyl)vinyl]pyridin-1-ium-1-yl]-3-oxo-butanoate bromide CAS Name: 4-[4-[(E)-2-(1-naphthalenyl)ethenyl]-1-pyridin-1-iumyl]-3-oxobutanoic acid octan-2-yl ester bromide IUPAC Name: octan-2-yl 4-[4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]-3-oxobutanoate bromide Traditional Name: 3-keto-4-[4-[(E)-2-(1-naphthyl)vinyl]pyridin-1-ium-1-yl]butyric acid 1-methylheptyl ester bromide Formula: C29H34BrNO3 MolecularWeight: 524.48916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)CC(=O)C[N+]1=CC=C(C=C1)C=CC2=CC=CC3=CC=CC=C32.[Br-]

Isomeric SMILES

CCCCCCC(C)OC(=O)CC(=O)C[N+]1=CC=C(C=C1)/C=C/C2=CC=CC3=CC=CC=C32.[Br-]

InChI

InChI=1S/C29H34NO3.BrH/c1-3-4-5-6-10-23(2)33-29(32)21-27(31)22-30-19-17-24(18-20-30)15-16-26-13-9-12-25-11-7-8-14-28(25)26;/h7-9,11-20,23H,3-6,10,21-22H2,1-2H3;1H/q+1;/p-1/b16-15+;