[(1R)-1-[5-(butanoylamino)-2-oxidanyl-phenyl]ethyl]-butyl-azanium

Systemtic Name: [(1R)-1-[5-(butanoylamino)-2-oxidanyl-phenyl]ethyl]-butyl-azanium Openeye Name: [(1R)-1-[5-(butanoylamino)-2-hydroxy-phenyl]ethyl]-butyl-ammonium CAS Name: butyl-[(1R)-1-[2-hydroxy-5-(1-oxobutylamino)phenyl]ethyl]ammonium IUPAC Name: [(1R)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethyl]-butylazanium Traditional Name: butyl-[(1R)-1-(5-butyramido-2-hydroxy-phenyl)ethyl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C(C)C1=C(C=CC(=C1)NC(=O)CCC)O

Isomeric SMILES

CCCC[NH2+][C@H](C)C1=C(C=CC(=C1)NC(=O)CCC)O

InChI

InChI=1S/C16H26N2O2/c1-4-6-10-17-12(3)14-11-13(8-9-15(14)19)18-16(20)7-5-2/h8-9,11-12,17,19H,4-7,10H2,1-3H3,(H,18,20)/p+1/t12-/m1/s1