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

Systemtic Name: 2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-1-(4-methylpentyl)piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-isohexyl-piperidin-1-ium-1-yl]acetate CAS Name: 2-[4-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-1-(4-methylpentyl)-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1-(4-methylpentyl)piperidin-1-ium-1-yl]acetate Traditional Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-isohexyl-piperidin-1-ium-1-yl]acetate Formula: C21H32ClN3O4 MolecularWeight: 425.94948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32ClN3O4/c1-14(2)5-4-8-25(13-20(26)27)9-6-15(7-10-25)24-21(28)16-11-17(22)18(23)12-19(16)29-3/h11-12,14-15H,4-10,13H2,1-3H3,(H3-,23,24,26,27,28)