(2R)-2-(3-azaniumylpropylazaniumyl)-4-[(4-dimethylaminophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-[(4-dimethylaminophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(3-azaniumylpropylammonio)-4-[4-(dimethylamino)anilino]-4-oxo-butanoate CAS Name: (2R)-2-(3-ammoniopropylammonio)-4-[4-(dimethylamino)anilino]-4-oxobutanoate IUPAC Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-[4-(dimethylamino)anilino]-4-oxobutanoate Traditional Name: (2R)-2-(3-ammoniopropylammonio)-4-[4-(dimethylamino)anilino]-4-keto-butyrate Formula: C15H25N4O3+ MolecularWeight: 309.384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N4O3/c1-19(2)12-6-4-11(5-7-12)18-14(20)10-13(15(21)22)17-9-3-8-16/h4-7,13,17H,3,8-10,16H2,1-2H3,(H,18,20)(H,21,22)/p+1/t13-/m1/s1