3-[(2-chloranylphenoxy)methyl]-4-methoxy-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide

Systemtic Name: 3-[(2-chloranylphenoxy)methyl]-4-methoxy-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Openeye Name: 3-[(2-chlorophenoxy)methyl]-4-methoxy-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide CAS Name: 3-[(2-chlorophenoxy)methyl]-4-methoxy-N-[4-(1-piperidin-1-iumylmethyl)phenyl]benzamide IUPAC Name: 3-[(2-chlorophenoxy)methyl]-4-methoxy-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Traditional Name: 3-[(2-chlorophenoxy)methyl]-4-methoxy-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Formula: C27H30ClN2O3+ MolecularWeight: 465.9917

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3)COC4=CC=CC=C4Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3)COC4=CC=CC=C4Cl

InChI

InChI=1S/C27H29ClN2O3/c1-32-25-14-11-21(17-22(25)19-33-26-8-4-3-7-24(26)28)27(31)29-23-12-9-20(10-13-23)18-30-15-5-2-6-16-30/h3-4,7-14,17H,2,5-6,15-16,18-19H2,1H3,(H,29,31)/p+1