N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(4-chloro-2,5-dimethoxy-phenyl)acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(4-chloro-2,5-dimethoxy-phenyl)acetamide Formula: C22H28ClN2O3+ MolecularWeight: 403.92232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3)OC)Cl

InChI

InChI=1S/C22H27ClN2O3/c1-27-20-14-19(21(28-2)13-18(20)23)24-22(26)15-25-10-8-17(9-11-25)12-16-6-4-3-5-7-16/h3-7,13-14,17H,8-12,15H2,1-2H3,(H,24,26)/p+1