(2R)-4-[(4-chlorophenyl)amino]-2-[3-(diethylazaniumyl)propylazaniumyl]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(4-chlorophenyl)amino]-2-[3-(diethylazaniumyl)propylazaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-chloroanilino)-2-[3-(diethylammonio)propylammonio]-4-oxo-butanoate CAS Name: (2R)-4-(4-chloroanilino)-2-[3-(diethylammonio)propylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-chloroanilino)-2-[3-(diethylazaniumyl)propylazaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-(4-chloroanilino)-2-[3-(diethylammonio)propylammonio]-4-keto-butyrate Formula: C17H27ClN3O3+ MolecularWeight: 356.86758

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC[NH2+]C(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCC[NH2+][C@H](CC(=O)NC1=CC=C(C=C1)Cl)C(=O)[O-]

InChI

InChI=1S/C17H26ClN3O3/c1-3-21(4-2)11-5-10-19-15(17(23)24)12-16(22)20-14-8-6-13(18)7-9-14/h6-9,15,19H,3-5,10-12H2,1-2H3,(H,20,22)(H,23,24)/p+1/t15-/m1/s1