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

Systemtic Name: (2R)-4-[(4-dimethylaminophenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylazaniumyl)butanoate Openeye Name: (2R)-4-[4-(dimethylamino)anilino]-2-(3-isopropoxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-[4-(dimethylamino)anilino]-4-oxo-2-(3-propan-2-yloxypropylammonio)butanoate IUPAC Name: (2R)-4-[4-(dimethylamino)anilino]-4-oxo-2-(3-propan-2-yloxypropylazaniumyl)butanoate Traditional Name: (2R)-4-[4-(dimethylamino)anilino]-2-(3-isopropoxypropylammonio)-4-keto-butyrate Formula: C18H29N3O4 MolecularWeight: 351.44056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O4/c1-13(2)25-11-5-10-19-16(18(23)24)12-17(22)20-14-6-8-15(9-7-14)21(3)4/h6-9,13,16,19H,5,10-12H2,1-4H3,(H,20,22)(H,23,24)/t16-/m1/s1