[(1S)-1-[5-(butanoylamino)-2-oxidanyl-phenyl]ethyl]-(2-dimethylaminoethyl)azanium

Systemtic Name: [(1S)-1-[5-(butanoylamino)-2-oxidanyl-phenyl]ethyl]-(2-dimethylaminoethyl)azanium Openeye Name: [(1S)-1-[5-(butanoylamino)-2-hydroxy-phenyl]ethyl]-(2-dimethylaminoethyl)ammonium CAS Name: 2-dimethylaminoethyl-[(1S)-1-[2-hydroxy-5-(1-oxobutylamino)phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethyl]-(2-dimethylaminoethyl)azanium Traditional Name: [(1S)-1-(5-butyramido-2-hydroxy-phenyl)ethyl]-(2-dimethylaminoethyl)ammonium Formula: C16H28N3O2+ MolecularWeight: 294.41242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)O)C(C)[NH2+]CCN(C)C

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)O)[C@H](C)[NH2+]CCN(C)C

InChI

InChI=1S/C16H27N3O2/c1-5-6-16(21)18-13-7-8-15(20)14(11-13)12(2)17-9-10-19(3)4/h7-8,11-12,17,20H,5-6,9-10H2,1-4H3,(H,18,21)/p+1/t12-/m0/s1