1-[2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C18H26N2O3/c1-3-13(2)15-6-4-5-7-16(15)19-17(21)12-20-10-8-14(9-11-20)18(22)23/h4-7,13-14H,3,8-12H2,1-2H3,(H,19,21)(H,22,23)/t13-/m0/s1