methyl 4-chloranyl-3-[[(3S)-piperidin-1-ium-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[(3S)-piperidin-1-ium-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[(3S)-piperidin-1-ium-3-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[oxo-[(3S)-3-piperidin-1-iumyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[(3S)-piperidin-1-ium-3-carbonyl]amino]benzoate Traditional Name: 4-chloro-3-[[(3S)-piperidin-1-ium-3-carbonyl]amino]benzoic acid methyl ester Formula: C14H18ClN2O3+ MolecularWeight: 297.75732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCC[NH2+]C2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C14H17ClN2O3/c1-20-14(19)9-4-5-11(15)12(7-9)17-13(18)10-3-2-6-16-8-10/h4-5,7,10,16H,2-3,6,8H2,1H3,(H,17,18)/p+1/t10-/m0/s1