methyl 4-[[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]amino]-4-keto-butyric acid methyl ester Formula: C17H24ClN2O3+ MolecularWeight: 339.83706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC1CCC[NH+](C1)CC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)CCC(=O)N[C@H]1CCC[NH+](C1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H23ClN2O3/c1-23-17(22)9-8-16(21)19-15-3-2-10-20(12-15)11-13-4-6-14(18)7-5-13/h4-7,15H,2-3,8-12H2,1H3,(H,19,21)/p+1/t15-/m0/s1