1-[2-[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[ethyl-(3-fluoro-4-methoxy-benzyl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C18H27FN3O3+ MolecularWeight: 352.423683

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C18H26FN3O3/c1-3-22(11-13-4-5-16(25-2)15(19)10-13)17(23)12-21-8-6-14(7-9-21)18(20)24/h4-5,10,14H,3,6-9,11-12H2,1-2H3,(H2,20,24)/p+1