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

Systemtic Name: (2R)-4-[(4-dimethylaminophenyl)amino]-2-(3-methylbutylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-[4-(dimethylamino)anilino]-2-(isopentylammonio)-4-oxo-butanoate CAS Name: (2R)-4-[4-(dimethylamino)anilino]-2-(3-methylbutylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-[4-(dimethylamino)anilino]-2-(3-methylbutylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-[4-(dimethylamino)anilino]-2-(isoamylammonio)-4-keto-butyrate Formula: C17H27N3O3 MolecularWeight: 321.41458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3/c1-12(2)9-10-18-15(17(22)23)11-16(21)19-13-5-7-14(8-6-13)20(3)4/h5-8,12,15,18H,9-11H2,1-4H3,(H,19,21)(H,22,23)/t15-/m1/s1