2-chloranylbutanoyl-ethyl-(1-methoxypropan-2-yl)-(2-methylphenyl)azanium

Systemtic Name: 2-chloranylbutanoyl-ethyl-(1-methoxypropan-2-yl)-(2-methylphenyl)azanium Openeye Name: 2-chlorobutanoyl-ethyl-(2-methoxy-1-methyl-ethyl)-(o-tolyl)ammonium CAS Name: (2-chloro-1-oxobutyl)-ethyl-(1-methoxypropan-2-yl)-(2-methylphenyl)ammonium IUPAC Name: 2-chlorobutanoyl-ethyl-(1-methoxypropan-2-yl)-(2-methylphenyl)azanium Traditional Name: 2-chlorobutanoyl-ethyl-(2-methoxy-1-methyl-ethyl)-(o-tolyl)ammonium Formula: C17H27ClNO2+ MolecularWeight: 312.85478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[N+](CC)(C1=CC=CC=C1C)C(C)COC)Cl

Isomeric SMILES

CCC(C(=O)[N+](CC)(C1=CC=CC=C1C)C(C)COC)Cl

InChI

InChI=1S/C17H27ClNO2/c1-6-15(18)17(20)19(7-2,14(4)12-21-5)16-11-9-8-10-13(16)3/h8-11,14-15H,6-7,12H2,1-5H3/q+1