2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-1-(3-methylbutyl)piperidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-1-(3-methylbutyl)piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-isopentyl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[4-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-1-(3-methylbutyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1-(3-methylbutyl)piperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-isoamyl-piperidin-1-ium-1-yl]acetic acid Formula: C20H31ClN3O4+ MolecularWeight: 412.93084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30ClN3O4/c1-13(2)4-7-24(12-19(25)26)8-5-14(6-9-24)23-20(27)15-10-16(21)17(22)11-18(15)28-3/h10-11,13-14H,4-9,12H2,1-3H3,(H3-,22,23,25,26,27)/p+1