1-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(5-chloro-2,4-dimethoxy-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(5-chloro-2,4-dimethoxy-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C16H23ClN3O4+ MolecularWeight: 356.82452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCC(CC2)C(=O)N)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCC(CC2)C(=O)N)Cl)OC

InChI

InChI=1S/C16H22ClN3O4/c1-23-13-8-14(24-2)12(7-11(13)17)19-15(21)9-20-5-3-10(4-6-20)16(18)22/h7-8,10H,3-6,9H2,1-2H3,(H2,18,22)(H,19,21)/p+1