3-[[(3S)-2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl]azaniumyl]propanoate

Systemtic Name: 3-[[(3S)-2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl]azaniumyl]propanoate Openeye Name: 3-[[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]ammonio]propanoate CAS Name: 3-[[(3S)-2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl]ammonio]propanoate IUPAC Name: 3-[[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]azaniumyl]propanoate Traditional Name: 3-[[(3S)-2,5-diketo-1-(4-propoxyphenyl)pyrrolidin-3-yl]ammonio]propionate Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH2+]CCC(=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH2+]CCC(=O)[O-]

InChI

InChI=1S/C16H20N2O5/c1-2-9-23-12-5-3-11(4-6-12)18-14(19)10-13(16(18)22)17-8-7-15(20)21/h3-6,13,17H,2,7-10H2,1H3,(H,20,21)/t13-/m0/s1