3-[(4-chloranylphenoxy)methyl]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide

Systemtic Name: 3-[(4-chloranylphenoxy)methyl]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Openeye Name: 3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide CAS Name: 3-[(4-chlorophenoxy)methyl]-N-[4-(1-piperidin-1-iumylmethyl)phenyl]benzamide IUPAC Name: 3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Traditional Name: 3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Formula: C26H28ClN2O2+ MolecularWeight: 435.96572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H27ClN2O2/c27-23-9-13-25(14-10-23)31-19-21-5-4-6-22(17-21)26(30)28-24-11-7-20(8-12-24)18-29-15-2-1-3-16-29/h4-14,17H,1-3,15-16,18-19H2,(H,28,30)/p+1