methyl 1-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[[(1S)-1-(4-isopropylphenyl)-2-methyl-propyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[[(1S)-2-methyl-1-p-cumenyl-propyl]amino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C22H35N2O3+ MolecularWeight: 375.5249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O3/c1-15(2)17-6-8-18(9-7-17)21(16(3)4)23-20(25)14-24-12-10-19(11-13-24)22(26)27-5/h6-9,15-16,19,21H,10-14H2,1-5H3,(H,23,25)/p+1/t21-/m0/s1