1-[(2-chlorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-N-(4-isopropoxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)-N-(4-isopropoxyphenyl)piperidin-1-ium-4-carboxamide Formula: C22H28ClN2O2+ MolecularWeight: 387.92292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)NC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)NC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H27ClN2O2/c1-16(2)27-20-9-7-19(8-10-20)24-22(26)17-11-13-25(14-12-17)15-18-5-3-4-6-21(18)23/h3-10,16-17H,11-15H2,1-2H3,(H,24,26)/p+1