(2R)-2-(2-azaniumylethylazaniumyl)-4-[(3-chloranyl-4-methoxy-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-[(3-chloranyl-4-methoxy-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-azaniumylethylammonio)-4-(3-chloro-4-methoxy-anilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-ammonioethylammonio)-4-(3-chloro-4-methoxyanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-(3-chloro-4-methoxyanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-ammonioethylammonio)-4-(3-chloro-4-methoxy-anilino)-4-keto-butyrate Formula: C13H19ClN3O4+ MolecularWeight: 316.76066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC[NH3+])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC[NH3+])Cl

InChI

InChI=1S/C13H18ClN3O4/c1-21-11-3-2-8(6-9(11)14)17-12(18)7-10(13(19)20)16-5-4-15/h2-3,6,10,16H,4-5,7,15H2,1H3,(H,17,18)(H,19,20)/p+1/t10-/m1/s1