1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-hydroxy-3-methoxy-phenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-hydroxy-3-methoxy-benzyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-carboxamide Formula: C21H35N3O4+2 MolecularWeight: 393.5203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C21H33N3O4/c1-27-19-5-2-4-18(20(19)25)16-24-10-6-17(7-11-24)21(26)22-8-3-9-23-12-14-28-15-13-23/h2,4-5,17,25H,3,6-16H2,1H3,(H,22,26)/p+2