[4-(dimethylamino)-3-[6-(2,2-dimethylbutanoyloxy)hexyl]phenyl]-methylidyne-azanium

Systemtic Name: [4-(dimethylamino)-3-[6-(2,2-dimethylbutanoyloxy)hexyl]phenyl]-methylidyne-azanium Openeye Name: [4-(dimethylamino)-3-[6-(2,2-dimethylbutanoyloxy)hexyl]phenyl]-methylidyne-ammonium CAS Name: [4-(dimethylamino)-3-[6-(2,2-dimethyl-1-oxobutoxy)hexyl]phenyl]-methylidyneammonium IUPAC Name: [4-(dimethylamino)-3-[6-(2,2-dimethylbutanoyloxy)hexyl]phenyl]-methylidyneazanium Traditional Name: [4-(dimethylamino)-3-[6-(2,2-dimethylbutanoyloxy)hexyl]phenyl]-methylidyne-ammonium Formula: C21H33N2O2+ MolecularWeight: 345.49892

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCCCCCCC1=C(C=CC(=C1)[N+]#C)N(C)C

Isomeric SMILES

CCC(C)(C)C(=O)OCCCCCCC1=C(C=CC(=C1)[N+]#C)N(C)C

InChI

InChI=1S/C21H33N2O2/c1-7-21(2,3)20(24)25-15-11-9-8-10-12-17-16-18(22-4)13-14-19(17)23(5)6/h4,13-14,16H,7-12,15H2,1-3,5-6H3/q+1