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

Systemtic Name: 2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-1-pentyl-piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-pentyl-piperidin-1-ium-1-yl]acetate CAS Name: 2-[4-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-1-pentyl-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1-pentylpiperidin-1-ium-1-yl]acetate Traditional Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-amyl-piperidin-1-ium-1-yl]acetate Formula: C20H30ClN3O4 MolecularWeight: 411.9229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30ClN3O4/c1-3-4-5-8-24(13-19(25)26)9-6-14(7-10-24)23-20(27)15-11-16(21)17(22)12-18(15)28-2/h11-12,14H,3-10,13H2,1-2H3,(H3-,22,23,25,26,27)