(2R)-4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-2-(prop-2-enylazaniumyl)butanoate

Systemtic Name: (2R)-4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-2-(prop-2-enylazaniumyl)butanoate Openeye Name: (2R)-2-(allylammonio)-4-(1,3-benzodioxol-5-ylamino)-4-oxo-butanoate CAS Name: (2R)-4-(1,3-benzodioxol-5-ylamino)-4-oxo-2-(prop-2-enylammonio)butanoate IUPAC Name: (2R)-4-(1,3-benzodioxol-5-ylamino)-4-oxo-2-(prop-2-enylazaniumyl)butanoate Traditional Name: (2R)-2-(allylammonio)-4-(1,3-benzodioxol-5-ylamino)-4-keto-butyrate Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH2+]C(CC(=O)NC1=CC2=C(C=C1)OCO2)C(=O)[O-]

Isomeric SMILES

C=CC[NH2+][C@H](CC(=O)NC1=CC2=C(C=C1)OCO2)C(=O)[O-]

InChI

InChI=1S/C14H16N2O5/c1-2-5-15-10(14(18)19)7-13(17)16-9-3-4-11-12(6-9)21-8-20-11/h2-4,6,10,15H,1,5,7-8H2,(H,16,17)(H,18,19)/t10-/m1/s1