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

Systemtic Name: (4R)-4-azaniumyl-4-[4-[(2S)-butan-2-yl]phenyl]butanoate Openeye Name: (4R)-4-azaniumyl-4-[4-[(1S)-1-methylpropyl]phenyl]butanoate CAS Name: (4R)-4-ammonio-4-[4-[(2S)-butan-2-yl]phenyl]butanoate IUPAC Name: (4R)-4-azaniumyl-4-[4-[(2S)-butan-2-yl]phenyl]butanoate Traditional Name: (4R)-4-ammonio-4-[4-[(1S)-1-methylpropyl]phenyl]butyrate Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2/c1-3-10(2)11-4-6-12(7-5-11)13(15)8-9-14(16)17/h4-7,10,13H,3,8-9,15H2,1-2H3,(H,16,17)/t10-,13+/m0/s1