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

Systemtic Name: 2-methoxyethyl 2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-methoxyethyl 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]piperidin-1-ium-1-yl]acetate CAS Name: 2-[4-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-1-piperidin-1-iumyl]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]piperidin-1-ium-1-yl]acetic acid 2-methoxyethyl ester Formula: C18H27ClN3O5+ MolecularWeight: 400.87708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3O5/c1-25-7-8-27-17(23)11-22-5-3-12(4-6-22)21-18(24)13-9-14(19)15(20)10-16(13)26-2/h9-10,12H,3-8,11,20H2,1-2H3,(H,21,24)/p+1