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

Systemtic Name: ethyl 2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]piperidin-1-ium-1-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H25ClN3O4+ MolecularWeight: 370.8511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClN3O4/c1-3-25-16(22)10-21-6-4-11(5-7-21)20-17(23)12-8-13(18)14(19)9-15(12)24-2/h8-9,11H,3-7,10,19H2,1-2H3,(H,20,23)/p+1