N-butyl-1-[(2-ethoxyphenyl)methyl]-N-methyl-piperidin-1-ium-4-carboxamide

Systemtic Name: N-butyl-1-[(2-ethoxyphenyl)methyl]-N-methyl-piperidin-1-ium-4-carboxamide Openeye Name: N-butyl-1-[(2-ethoxyphenyl)methyl]-N-methyl-piperidin-1-ium-4-carboxamide CAS Name: N-butyl-1-[(2-ethoxyphenyl)methyl]-N-methyl-4-piperidin-1-iumcarboxamide IUPAC Name: N-butyl-1-[(2-ethoxyphenyl)methyl]-N-methylpiperidin-1-ium-4-carboxamide Traditional Name: N-butyl-1-(2-ethoxybenzyl)-N-methyl-piperidin-1-ium-4-carboxamide Formula: C20H33N2O2+ MolecularWeight: 333.48822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1CC[NH+](CC1)CC2=CC=CC=C2OCC

Isomeric SMILES

CCCCN(C)C(=O)C1CC[NH+](CC1)CC2=CC=CC=C2OCC

InChI

InChI=1S/C20H32N2O2/c1-4-6-13-21(3)20(23)17-11-14-22(15-12-17)16-18-9-7-8-10-19(18)24-5-2/h7-10,17H,4-6,11-16H2,1-3H3/p+1