1-[2-[(3-methyl-4-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-[(3-methyl-4-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(4-isopropyl-3-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3-methyl-4-propan-2-ylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(3-methyl-4-propan-2-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-isopropyl-3-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-])C(C)C

InChI

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