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

Systemtic Name: (2R)-4-[(4-dimethylaminophenyl)amino]-4-oxidanylidene-2-(pentylazaniumyl)butanoate Openeye Name: (2R)-4-[4-(dimethylamino)anilino]-4-oxo-2-(pentylammonio)butanoate CAS Name: (2R)-4-[4-(dimethylamino)anilino]-4-oxo-2-(pentylammonio)butanoate IUPAC Name: (2R)-4-[4-(dimethylamino)anilino]-4-oxo-2-(pentylazaniumyl)butanoate Traditional Name: (2R)-2-(amylammonio)-4-[4-(dimethylamino)anilino]-4-keto-butyrate Formula: C17H27N3O3 MolecularWeight: 321.41458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3/c1-4-5-6-11-18-15(17(22)23)12-16(21)19-13-7-9-14(10-8-13)20(2)3/h7-10,15,18H,4-6,11-12H2,1-3H3,(H,19,21)(H,22,23)/t15-/m1/s1