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

Systemtic Name: (2R)-4-[(4-dimethylaminophenyl)amino]-2-(3-methoxypropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-[4-(dimethylamino)anilino]-2-(3-methoxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-[4-(dimethylamino)anilino]-2-(3-methoxypropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-[4-(dimethylamino)anilino]-2-(3-methoxypropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-[4-(dimethylamino)anilino]-4-keto-2-(3-methoxypropylammonio)butyrate Formula: C16H25N3O4 MolecularWeight: 323.3874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O4/c1-19(2)13-7-5-12(6-8-13)18-15(20)11-14(16(21)22)17-9-4-10-23-3/h5-8,14,17H,4,9-11H2,1-3H3,(H,18,20)(H,21,22)/t14-/m1/s1