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

Systemtic Name: 2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-1-butyl-piperidin-1-ium-1-yl]ethanoate; methanesulfonate Openeye Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-butyl-piperidin-1-ium-1-yl]acetate; methanesulfonate CAS Name: 2-[4-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-1-butyl-1-piperidin-1-iumyl]acetate; methanesulfonate IUPAC Name: 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1-butylpiperidin-1-ium-1-yl]acetate; methanesulfonate Traditional Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-butyl-piperidin-1-ium-1-yl]acetate mesylate Formula: C20H31ClN3O7S- MolecularWeight: 492.99404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28ClN3O4.CH4O3S/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;1-5(2,3)4/h10-11,13H,3-9,12H2,1-2H3,(H3-,21,22,24,25,26);1H3,(H,2,3,4)/p-1