3-[1-[(4-acetamidophenyl)methyl]piperidin-1-ium-4-yl]-N-(2-chlorophenyl)propanamide

Systemtic Name: 3-[1-[(4-acetamidophenyl)methyl]piperidin-1-ium-4-yl]-N-(2-chlorophenyl)propanamide Openeye Name: 3-[1-[(4-acetamidophenyl)methyl]piperidin-1-ium-4-yl]-N-(2-chlorophenyl)propanamide CAS Name: 3-[1-[(4-acetamidophenyl)methyl]-4-piperidin-1-iumyl]-N-(2-chlorophenyl)propanamide IUPAC Name: 3-[1-[(4-acetamidophenyl)methyl]piperidin-1-ium-4-yl]-N-(2-chlorophenyl)propanamide Traditional Name: 3-[1-(4-acetamidobenzyl)piperidin-1-ium-4-yl]-N-(2-chlorophenyl)propionamide Formula: C23H29ClN3O2+ MolecularWeight: 414.94826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C23H28ClN3O2/c1-17(28)25-20-9-6-19(7-10-20)16-27-14-12-18(13-15-27)8-11-23(29)26-22-5-3-2-4-21(22)24/h2-7,9-10,18H,8,11-16H2,1H3,(H,25,28)(H,26,29)/p+1