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

Systemtic Name: [(1S)-1-(4-dimethylaminophenyl)-2-(3-methylbutanoylamino)ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-dimethylaminophenyl)-2-(3-methylbutanoylamino)ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-dimethylaminophenyl)-2-[(3-methyl-1-oxobutyl)amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-dimethylaminophenyl)-2-(3-methylbutanoylamino)ethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-dimethylaminophenyl)-2-(isovalerylamino)ethyl]-dimethyl-ammonium Formula: C17H30N3O+ MolecularWeight: 292.4396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O/c1-13(2)11-17(21)18-12-16(20(5)6)14-7-9-15(10-8-14)19(3)4/h7-10,13,16H,11-12H2,1-6H3,(H,18,21)/p+1/t16-/m1/s1