(2R)-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[3-(dimethylammonio)propylammonio]-4-(3-nitroanilino)-4-oxo-butanoate CAS Name: (2R)-2-[3-(dimethylammonio)propylammonio]-4-(3-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-(3-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-[3-(dimethylammonio)propylammonio]-4-keto-4-(3-nitroanilino)butyrate Formula: C15H23N4O5+ MolecularWeight: 339.36692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O5/c1-18(2)8-4-7-16-13(15(21)22)10-14(20)17-11-5-3-6-12(9-11)19(23)24/h3,5-6,9,13,16H,4,7-8,10H2,1-2H3,(H,17,20)(H,21,22)/p+1/t13-/m1/s1