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

Systemtic Name: 1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2,4-dimethoxyphenyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(2,4-dimethoxybenzyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-carboxamide Formula: C22H37N3O4+2 MolecularWeight: 407.54688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)C(=O)NCCC[NH+]3CCOCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)C(=O)NCCC[NH+]3CCOCC3)OC

InChI

InChI=1S/C22H35N3O4/c1-27-20-5-4-19(21(16-20)28-2)17-25-10-6-18(7-11-25)22(26)23-8-3-9-24-12-14-29-15-13-24/h4-5,16,18H,3,6-15,17H2,1-2H3,(H,23,26)/p+2