(2R)-2-[2-(diethylazaniumyl)ethylazaniumyl]-4-[(4-ethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-[2-(diethylazaniumyl)ethylazaniumyl]-4-[(4-ethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[2-(diethylammonio)ethylammonio]-4-(4-ethylanilino)-4-oxo-butanoate CAS Name: (2R)-2-[2-(diethylammonio)ethylammonio]-4-(4-ethylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[2-(diethylazaniumyl)ethylazaniumyl]-4-(4-ethylanilino)-4-oxobutanoate Traditional Name: (2R)-2-[2-(diethylammonio)ethylammonio]-4-(4-ethylanilino)-4-keto-butyrate Formula: C18H30N3O3+ MolecularWeight: 336.4491

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC[NH+](CC)CC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC[NH+](CC)CC

InChI

InChI=1S/C18H29N3O3/c1-4-14-7-9-15(10-8-14)20-17(22)13-16(18(23)24)19-11-12-21(5-2)6-3/h7-10,16,19H,4-6,11-13H2,1-3H3,(H,20,22)(H,23,24)/p+1/t16-/m1/s1