1-[2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[(2,4,5-trimethoxybenzyl)amino]ethyl]piperidin-1-ium-4-carboxamide Formula: C18H28N3O5+ MolecularWeight: 366.43202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)C[NH+]2CCC(CC2)C(=O)N)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)C[NH+]2CCC(CC2)C(=O)N)OC)OC

InChI

InChI=1S/C18H27N3O5/c1-24-14-9-16(26-3)15(25-2)8-13(14)10-20-17(22)11-21-6-4-12(5-7-21)18(19)23/h8-9,12H,4-7,10-11H2,1-3H3,(H2,19,23)(H,20,22)/p+1