(2R)-4-[(4-ethanoylphenyl)amino]-2-(hexylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(4-ethanoylphenyl)amino]-2-(hexylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-acetylanilino)-2-(hexylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-acetylanilino)-2-(hexylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-acetylanilino)-2-(hexylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-acetylanilino)-2-(hexylammonio)-4-keto-butyrate Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-3-4-5-6-11-19-16(18(23)24)12-17(22)20-15-9-7-14(8-10-15)13(2)21/h7-10,16,19H,3-6,11-12H2,1-2H3,(H,20,22)(H,23,24)/t16-/m1/s1