3-(3-butyl-4-quinolin-1-ium-1-yl-phenoxy)propyl-trimethyl-azanium

Systemtic Name: 3-(3-butyl-4-quinolin-1-ium-1-yl-phenoxy)propyl-trimethyl-azanium Openeye Name: 3-(3-butyl-4-quinolin-1-ium-1-yl-phenoxy)propyl-trimethyl-ammonium CAS Name: 3-[3-butyl-4-(1-quinolin-1-iumyl)phenoxy]propyl-trimethylammonium IUPAC Name: 3-(3-butyl-4-quinolin-1-ium-1-ylphenoxy)propyl-trimethylazanium Traditional Name: 3-(3-butyl-4-quinolin-1-ium-1-yl-phenoxy)propyl-trimethyl-ammonium Formula: C25H34N2O+2 MolecularWeight: 378.55026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)OCCC[N+](C)(C)C)[N+]2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCCC1=C(C=CC(=C1)OCCC[N+](C)(C)C)[N+]2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H34N2O/c1-5-6-11-22-20-23(28-19-10-18-27(2,3)4)15-16-25(22)26-17-9-13-21-12-7-8-14-24(21)26/h7-9,12-17,20H,5-6,10-11,18-19H2,1-4H3/q+2