2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]piperidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]piperidin-1-ium-1-yl]acetate CAS Name: 2-[4-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]piperidin-1-ium-1-yl]acetate Formula: C15H20ClN3O4 MolecularWeight: 341.79

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CC[NH+](CC2)CC(=O)[O-])Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CC[NH+](CC2)CC(=O)[O-])Cl)N

InChI

InChI=1S/C15H20ClN3O4/c1-23-13-7-12(17)11(16)6-10(13)15(22)18-9-2-4-19(5-3-9)8-14(20)21/h6-7,9H,2-5,8,17H2,1H3,(H,18,22)(H,20,21)