(2S)-2-[methyl-[(4-propan-2-ylphenyl)methyl]azaniumyl]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[methyl-[(4-propan-2-ylphenyl)methyl]azaniumyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[(4-isopropylphenyl)methyl-methyl-ammonio]-2-phenyl-acetate CAS Name: (2S)-2-[methyl-[(4-propan-2-ylphenyl)methyl]ammonio]-2-phenylacetate IUPAC Name: (2S)-2-[methyl-[(4-propan-2-ylphenyl)methyl]azaniumyl]-2-phenylacetate Traditional Name: (2S)-2-[(4-isopropylbenzyl)-methyl-ammonio]-2-phenyl-acetate Formula: C19H23NO2 MolecularWeight: 297.39142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](C)C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](C)[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C19H23NO2/c1-14(2)16-11-9-15(10-12-16)13-20(3)18(19(21)22)17-7-5-4-6-8-17/h4-12,14,18H,13H2,1-3H3,(H,21,22)/t18-/m0/s1