4-[4-[(E)-2-(3,5-dimethoxy-4-octanoyloxy-phenyl)ethenyl]quinolin-1-ium-1-yl]butanoic acid

Systemtic Name: 4-[4-[(E)-2-(3,5-dimethoxy-4-octanoyloxy-phenyl)ethenyl]quinolin-1-ium-1-yl]butanoic acid Openeye Name: 4-[4-[(E)-2-(3,5-dimethoxy-4-octanoyloxy-phenyl)vinyl]quinolin-1-ium-1-yl]butanoic acid CAS Name: 4-[4-[(E)-2-[3,5-dimethoxy-4-(1-oxooctoxy)phenyl]ethenyl]-1-quinolin-1-iumyl]butanoic acid IUPAC Name: 4-[4-[(E)-2-(3,5-dimethoxy-4-octanoyloxyphenyl)ethenyl]quinolin-1-ium-1-yl]butanoic acid Traditional Name: 4-[4-[(E)-2-(4-caprylyloxy-3,5-dimethoxy-phenyl)vinyl]quinolin-1-ium-1-yl]butyric acid Formula: C31H38NO6+ MolecularWeight: 520.63652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C=C(C=C1OC)C=CC2=CC=[N+](C3=CC=CC=C23)CCCC(=O)O)OC

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C=C(C=C1OC)/C=C/C2=CC=[N+](C3=CC=CC=C23)CCCC(=O)O)OC

InChI

InChI=1S/C31H37NO6/c1-4-5-6-7-8-15-30(35)38-31-27(36-2)21-23(22-28(31)37-3)16-17-24-18-20-32(19-11-14-29(33)34)26-13-10-9-12-25(24)26/h9-10,12-13,16-18,20-22H,4-8,11,14-15,19H2,1-3H3/p+1/b17-16+