N-(2,4-dimethylphenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H28N2O/c1-17-8-9-21(18(2)14-17)23-22(25)16-24-12-10-20(11-13-24)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,23,25)/p+1