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

Systemtic Name: [(1S)-2-(butanoylamino)-1-(4-dimethylaminophenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(butanoylamino)-1-(4-dimethylaminophenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-dimethylaminophenyl)-2-(1-oxobutylamino)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-(butanoylamino)-1-(4-dimethylaminophenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-butyramido-1-(4-dimethylaminophenyl)ethyl]-dimethyl-ammonium Formula: C16H28N3O+ MolecularWeight: 278.41302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O/c1-6-7-16(20)17-12-15(19(4)5)13-8-10-14(11-9-13)18(2)3/h8-11,15H,6-7,12H2,1-5H3,(H,17,20)/p+1/t15-/m1/s1