N-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-ethyl-N-(2-methylallyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-ethyl-N-(2-methylallyl)-1-(3,4,5-trimethoxybenzyl)piperidin-1-ium-4-carboxamide Formula: C22H35N2O4+ MolecularWeight: 391.5243

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=C)C)C(=O)C1CC[NH+](CC1)CC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCN(CC(=C)C)C(=O)C1CC[NH+](CC1)CC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C22H34N2O4/c1-7-24(14-16(2)3)22(25)18-8-10-23(11-9-18)15-17-12-19(26-4)21(28-6)20(13-17)27-5/h12-13,18H,2,7-11,14-15H2,1,3-6H3/p+1