[(1S)-1-(4-dimethylaminophenyl)-2-(3,3-dimethylbutanoylamino)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(4-dimethylaminophenyl)-2-(3,3-dimethylbutanoylamino)ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-dimethylaminophenyl)-2-(3,3-dimethylbutanoylamino)ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-dimethylaminophenyl)-2-[(3,3-dimethyl-1-oxobutyl)amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-dimethylaminophenyl)-2-(3,3-dimethylbutanoylamino)ethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-dimethylaminophenyl)-2-(3,3-dimethylbutanoylamino)ethyl]-dimethyl-ammonium Formula: C18H32N3O+ MolecularWeight: 306.46618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NCC(C1=CC=C(C=C1)N(C)C)[NH+](C)C

Isomeric SMILES

CC(C)(C)CC(=O)NC[C@H](C1=CC=C(C=C1)N(C)C)[NH+](C)C

InChI

InChI=1S/C18H31N3O/c1-18(2,3)12-17(22)19-13-16(21(6)7)14-8-10-15(11-9-14)20(4)5/h8-11,16H,12-13H2,1-7H3,(H,19,22)/p+1/t16-/m1/s1