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

Systemtic Name: 2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-1-butyl-piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-butyl-piperidin-1-ium-1-yl]acetate CAS Name: 2-[4-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-1-butyl-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1-butylpiperidin-1-ium-1-yl]acetate Traditional Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-butyl-piperidin-1-ium-1-yl]acetate Formula: C19H28ClN3O4 MolecularWeight: 397.89632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCC(CC1)NC(=O)C2=CC(=C(C=C2OC)N)Cl)CC(=O)[O-]

Isomeric SMILES

CCCC[N+]1(CCC(CC1)NC(=O)C2=CC(=C(C=C2OC)N)Cl)CC(=O)[O-]

InChI

InChI=1S/C19H28ClN3O4/c1-3-4-7-23(12-18(24)25)8-5-13(6-9-23)22-19(26)14-10-15(20)16(21)11-17(14)27-2/h10-11,13H,3-9,12H2,1-2H3,(H3-,21,22,24,25,26)