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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[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/c1-12(2)10-23(11-18(24)25)6-4-13(5-7-23)22-19(26)14-8-15(20)16(21)9-17(14)27-3;1-5(2,3)4/h8-9,12-13H,4-7,10-11H2,1-3H3,(H3-,21,22,24,25,26);1H3,(H,2,3,4)/p-1