(2R)-2-[(2-hydroxyphenyl)methylazaniumyl]-4-methyl-pent-3-enoate

Systemtic Name: (2R)-2-[(2-hydroxyphenyl)methylazaniumyl]-4-methyl-pent-3-enoate Openeye Name: (2R)-2-[(2-hydroxyphenyl)methylammonio]-4-methyl-pent-3-enoate CAS Name: (2R)-2-[(2-hydroxyphenyl)methylammonio]-4-methyl-3-pentenoate IUPAC Name: (2R)-2-[(2-hydroxyphenyl)methylazaniumyl]-4-methylpent-3-enoate Traditional Name: (2R)-4-methyl-2-(salicylammonio)pent-3-enoate Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(C(=O)[O-])[NH2+]CC1=CC=CC=C1O)C

Isomeric SMILES

CC(=C[C@H](C(=O)[O-])[NH2+]CC1=CC=CC=C1O)C

InChI

InChI=1S/C13H17NO3/c1-9(2)7-11(13(16)17)14-8-10-5-3-4-6-12(10)15/h3-7,11,14-15H,8H2,1-2H3,(H,16,17)/t11-/m1/s1