2-(4-chloranylphenoxy)-2-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-chlorophenoxy)-2-methyl-propanamide CAS Name: 2-(4-chlorophenoxy)-2-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-chlorophenoxy)-2-methylpropanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-chlorophenoxy)-2-methyl-propionamide Formula: C22H28ClN2O2+ MolecularWeight: 387.92292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)OC3=CC=C(C=C3)Cl

InChI

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