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

Systemtic Name: N-(2-morpholin-4-ylethyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-morpholinoethyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-(4-morpholinyl)ethyl]-1-[(2,3,4-trimethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-morpholin-4-ylethyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-morpholinoethyl)-1-(2,3,4-trimethoxybenzyl)piperidin-1-ium-4-carboxamide Formula: C22H36N3O5+ MolecularWeight: 422.53834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCC(CC2)C(=O)NCCN3CCOCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCC(CC2)C(=O)NCCN3CCOCC3)OC)OC

InChI

InChI=1S/C22H35N3O5/c1-27-19-5-4-18(20(28-2)21(19)29-3)16-25-9-6-17(7-10-25)22(26)23-8-11-24-12-14-30-15-13-24/h4-5,17H,6-16H2,1-3H3,(H,23,26)/p+1