butanoate; [2,6-dimethoxy-4-[(E)-2-quinolin-1-ium-4-ylethenyl]phenyl] octanoate

Systemtic Name: butanoate; [2,6-dimethoxy-4-[(E)-2-quinolin-1-ium-4-ylethenyl]phenyl] octanoate Openeye Name: butanoate; [2,6-dimethoxy-4-[(E)-2-quinolin-1-ium-4-ylvinyl]phenyl] octanoate CAS Name: butanoate; octanoic acid [2,6-dimethoxy-4-[(E)-2-(4-quinolin-1-iumyl)ethenyl]phenyl] ester IUPAC Name: butanoate; [2,6-dimethoxy-4-[(E)-2-quinolin-1-ium-4-ylethenyl]phenyl] octanoate Traditional Name: butyrate; caprylic acid [2,6-dimethoxy-4-[(E)-2-quinolin-1-ium-4-ylvinyl]phenyl] ester Formula: C31H39NO6 MolecularWeight: 521.64446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO4.C4H8O2/c1-4-5-6-7-8-13-26(29)32-27-24(30-2)18-20(19-25(27)31-3)14-15-21-16-17-28-23-12-10-9-11-22(21)23;1-2-3-4(5)6/h9-12,14-19H,4-8,13H2,1-3H3;2-3H2,1H3,(H,5,6)/b15-14+;