1-[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(4-tert-butylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-tert-butylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-tert-butylanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C18H26N2O3 MolecularWeight: 318.41064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C18H26N2O3/c1-18(2,3)14-4-6-15(7-5-14)19-16(21)12-20-10-8-13(9-11-20)17(22)23/h4-7,13H,8-12H2,1-3H3,(H,19,21)(H,22,23)