1-[(2,3-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-N-(3-morpholinopropyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-N-[3-(4-morpholinyl)propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidin-1-ium-4-carboxamide Traditional Name: N-(3-morpholinopropyl)-1-o-veratryl-piperidin-1-ium-4-carboxamide Formula: C22H36N3O4+ MolecularWeight: 406.53894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCC(CC2)C(=O)NCCCN3CCOCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCC(CC2)C(=O)NCCCN3CCOCC3

InChI

InChI=1S/C22H35N3O4/c1-27-20-6-3-5-19(21(20)28-2)17-25-11-7-18(8-12-25)22(26)23-9-4-10-24-13-15-29-16-14-24/h3,5-6,18H,4,7-17H2,1-2H3,(H,23,26)/p+1