(5R)-5-azaniumyl-5-[4-[(2S)-butan-2-yl]phenyl]pentanoate

Systemtic Name: (5R)-5-azaniumyl-5-[4-[(2S)-butan-2-yl]phenyl]pentanoate Openeye Name: (5R)-5-azaniumyl-5-[4-[(1S)-1-methylpropyl]phenyl]pentanoate CAS Name: (5R)-5-ammonio-5-[4-[(2S)-butan-2-yl]phenyl]pentanoate IUPAC Name: (5R)-5-azaniumyl-5-[4-[(2S)-butan-2-yl]phenyl]pentanoate Traditional Name: (5R)-5-ammonio-5-[4-[(1S)-1-methylpropyl]phenyl]valerate Formula: C15H23NO2 MolecularWeight: 249.34862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CCCC(=O)[O-])[NH3+]

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)[C@@H](CCCC(=O)[O-])[NH3+]

InChI

InChI=1S/C15H23NO2/c1-3-11(2)12-7-9-13(10-8-12)14(16)5-4-6-15(17)18/h7-11,14H,3-6,16H2,1-2H3,(H,17,18)/t11-,14+/m0/s1