(2R)-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[3-(dimethylammonio)propylammonio]-4-(3-methylanilino)-4-oxo-butanoate CAS Name: (2R)-2-[3-(dimethylammonio)propylammonio]-4-(3-methylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-(3-methylanilino)-4-oxobutanoate Traditional Name: (2R)-2-[3-(dimethylammonio)propylammonio]-4-keto-4-(m-toluidino)butyrate Formula: C16H26N3O3+ MolecularWeight: 308.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCC[NH+](C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC[NH+](C)C

InChI

InChI=1S/C16H25N3O3/c1-12-6-4-7-13(10-12)18-15(20)11-14(16(21)22)17-8-5-9-19(2)3/h4,6-7,10,14,17H,5,8-9,11H2,1-3H3,(H,18,20)(H,21,22)/p+1/t14-/m1/s1