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

Systemtic Name: 2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-1-propyl-piperidin-1-ium-1-yl]ethanoate; methanesulfonate Openeye Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-propyl-piperidin-1-ium-1-yl]acetate; methanesulfonate CAS Name: 2-[4-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-1-propyl-1-piperidin-1-iumyl]acetate; methanesulfonate IUPAC Name: 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1-propylpiperidin-1-ium-1-yl]acetate; methanesulfonate Traditional Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-propyl-piperidin-1-ium-1-yl]acetate mesylate Formula: C19H29ClN3O7S- MolecularWeight: 478.96746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3O4.CH4O3S/c1-3-6-22(11-17(23)24)7-4-12(5-8-22)21-18(25)13-9-14(19)15(20)10-16(13)26-2;1-5(2,3)4/h9-10,12H,3-8,11H2,1-2H3,(H3-,20,21,23,24,25);1H3,(H,2,3,4)/p-1