3-[(2R)-1-(3-chloranylpropanoyl)-6-methoxy-3,4-dihydro-2H-quinazolin-3-ium-2-yl]propanoate

Systemtic Name: 3-[(2R)-1-(3-chloranylpropanoyl)-6-methoxy-3,4-dihydro-2H-quinazolin-3-ium-2-yl]propanoate Openeye Name: 3-[(2R)-1-(3-chloropropanoyl)-6-methoxy-3,4-dihydro-2H-quinazolin-3-ium-2-yl]propanoate CAS Name: 3-[(2R)-1-(3-chloro-1-oxopropyl)-6-methoxy-3,4-dihydro-2H-quinazolin-3-ium-2-yl]propanoate IUPAC Name: 3-[(2R)-1-(3-chloropropanoyl)-6-methoxy-3,4-dihydro-2H-quinazolin-3-ium-2-yl]propanoate Traditional Name: 3-[(2R)-1-(3-chloropropanoyl)-6-methoxy-3,4-dihydro-2H-quinazolin-3-ium-2-yl]propionate Formula: C15H19ClN2O4 MolecularWeight: 326.77536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C([NH2+]C2)CCC(=O)[O-])C(=O)CCCl

Isomeric SMILES

COC1=CC2=C(C=C1)N([C@@H]([NH2+]C2)CCC(=O)[O-])C(=O)CCCl

InChI

InChI=1S/C15H19ClN2O4/c1-22-11-2-3-12-10(8-11)9-17-13(4-5-15(20)21)18(12)14(19)6-7-16/h2-3,8,13,17H,4-7,9H2,1H3,(H,20,21)/t13-/m1/s1