[(1S)-1-(4-dimethylaminophenyl)-2-(2-methylpropanoylamino)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(4-dimethylaminophenyl)-2-(2-methylpropanoylamino)ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-dimethylaminophenyl)-2-(2-methylpropanoylamino)ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-dimethylaminophenyl)-2-[(2-methyl-1-oxopropyl)amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-dimethylaminophenyl)-2-(2-methylpropanoylamino)ethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-dimethylaminophenyl)-2-(isobutyrylamino)ethyl]-dimethyl-ammonium Formula: C16H28N3O+ MolecularWeight: 278.41302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O/c1-12(2)16(20)17-11-15(19(5)6)13-7-9-14(10-8-13)18(3)4/h7-10,12,15H,11H2,1-6H3,(H,17,20)/p+1/t15-/m1/s1