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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-1-veratryl-piperidin-1-ium-4-carboxamide Formula: C21H35N3O4+2 MolecularWeight: 393.5203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O4/c1-26-19-4-3-17(15-20(19)27-2)16-24-8-5-18(6-9-24)21(25)22-7-10-23-11-13-28-14-12-23/h3-4,15,18H,5-14,16H2,1-2H3,(H,22,25)/p+2