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

Systemtic Name: methyl 1-[2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[4-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[4-[(1S)-1-methylpropyl]anilino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O3/c1-4-14(2)15-5-7-17(8-6-15)20-18(22)13-21-11-9-16(10-12-21)19(23)24-3/h5-8,14,16H,4,9-13H2,1-3H3,(H,20,22)/p+1/t14-/m0/s1