4-quinolin-1-ium-1-ylbutyl 4-hexoxy-3,5-dimethoxy-benzoate chloride

Systemtic Name: 4-quinolin-1-ium-1-ylbutyl 4-hexoxy-3,5-dimethoxy-benzoate chloride Openeye Name: 4-quinolin-1-ium-1-ylbutyl 4-hexoxy-3,5-dimethoxy-benzoate chloride CAS Name: 4-hexoxy-3,5-dimethoxybenzoic acid 4-(1-quinolin-1-iumyl)butyl ester chloride IUPAC Name: 4-quinolin-1-ium-1-ylbutyl 4-hexoxy-3,5-dimethoxybenzoate chloride Traditional Name: 4-hexoxy-3,5-dimethoxy-benzoic acid 4-quinolin-1-ium-1-ylbutyl ester chloride Formula: C28H36ClNO5 MolecularWeight: 502.04214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1OC)C(=O)OCCCC[N+]2=CC=CC3=CC=CC=C32)OC.[Cl-]

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1OC)C(=O)OCCCC[N+]2=CC=CC3=CC=CC=C32)OC.[Cl-]

InChI

InChI=1S/C28H36NO5.ClH/c1-4-5-6-10-18-33-27-25(31-2)20-23(21-26(27)32-3)28(30)34-19-11-9-16-29-17-12-14-22-13-7-8-15-24(22)29;/h7-8,12-15,17,20-21H,4-6,9-11,16,18-19H2,1-3H3;1H/q+1;/p-1