trimethyl-[3-[[5-(2-methylpropoxymethyl)-1-benzofuran-2-yl]carbonyloxy]butyl]azanium

Systemtic Name: trimethyl-[3-[[5-(2-methylpropoxymethyl)-1-benzofuran-2-yl]carbonyloxy]butyl]azanium Openeye Name: 3-[5-(isobutoxymethyl)benzofuran-2-carbonyl]oxybutyl-trimethyl-ammonium CAS Name: trimethyl-[3-[[5-(2-methylpropoxymethyl)-2-benzofuranyl]-oxomethoxy]butyl]ammonium IUPAC Name: trimethyl-[3-[5-(2-methylpropoxymethyl)-1-benzofuran-2-carbonyl]oxybutyl]azanium Traditional Name: 3-[5-(isobutoxymethyl)benzofuran-2-carbonyl]oxybutyl-trimethyl-ammonium Formula: C21H32NO4+ MolecularWeight: 362.48308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC1=CC2=C(C=C1)OC(=C2)C(=O)OC(C)CC[N+](C)(C)C

Isomeric SMILES

CC(C)COCC1=CC2=C(C=C1)OC(=C2)C(=O)OC(C)CC[N+](C)(C)C

InChI

InChI=1S/C21H32NO4/c1-15(2)13-24-14-17-7-8-19-18(11-17)12-20(26-19)21(23)25-16(3)9-10-22(4,5)6/h7-8,11-12,15-16H,9-10,13-14H2,1-6H3/q+1