1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-N-propan-2-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-N-propan-2-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]-N-isopropyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-N-propan-2-yl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-N-propan-2-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-(4-hydroxy-3,5-dimethoxy-benzyl)-N-isopropyl-piperidin-1-ium-4-carboxamide Formula: C18H29N2O4+ MolecularWeight: 337.43386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC[NH+](CC1)CC2=CC(=C(C(=C2)OC)O)OC

Isomeric SMILES

CC(C)NC(=O)C1CC[NH+](CC1)CC2=CC(=C(C(=C2)OC)O)OC

InChI

InChI=1S/C18H28N2O4/c1-12(2)19-18(22)14-5-7-20(8-6-14)11-13-9-15(23-3)17(21)16(10-13)24-4/h9-10,12,14,21H,5-8,11H2,1-4H3,(H,19,22)/p+1