1-[(2,5-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-N-isopentyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-N-(3-methylbutyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(2,5-dimethoxybenzyl)-N-isoamyl-piperidin-1-ium-4-carboxamide Formula: C20H33N2O3+ MolecularWeight: 349.48762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O3/c1-15(2)7-10-21-20(23)16-8-11-22(12-9-16)14-17-13-18(24-3)5-6-19(17)25-4/h5-6,13,15-16H,7-12,14H2,1-4H3,(H,21,23)/p+1