(2R)-2-(2-azaniumylethylazaniumyl)-4-[(4-butylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-[(4-butylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-azaniumylethylammonio)-4-(4-butylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-ammonioethylammonio)-4-(4-butylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-(4-butylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-ammonioethylammonio)-4-(4-butylanilino)-4-keto-butyrate Formula: C16H26N3O3+ MolecularWeight: 308.39594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC[NH3+]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC[NH3+]

InChI

InChI=1S/C16H25N3O3/c1-2-3-4-12-5-7-13(8-6-12)19-15(20)11-14(16(21)22)18-10-9-17/h5-8,14,18H,2-4,9-11,17H2,1H3,(H,19,20)(H,21,22)/p+1/t14-/m1/s1