(2R)-2-(1,3-benzodioxol-5-ylmethylazaniumyl)-4-(4-chlorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-ylmethylazaniumyl)-4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(1,3-benzodioxol-5-ylmethylammonio)-4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: (2R)-2-(1,3-benzodioxol-5-ylmethylammonio)-4-(4-chlorophenyl)-4-oxobutanoate IUPAC Name: (2R)-2-(1,3-benzodioxol-5-ylmethylazaniumyl)-4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-chlorophenyl)-4-keto-2-(piperonylammonio)butyrate Formula: C18H16ClNO5 MolecularWeight: 361.77634

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]C(CC(=O)C3=CC=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+][C@H](CC(=O)C3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C18H16ClNO5/c19-13-4-2-12(3-5-13)15(21)8-14(18(22)23)20-9-11-1-6-16-17(7-11)25-10-24-16/h1-7,14,20H,8-10H2,(H,22,23)/t14-/m1/s1