2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2-methylphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2-methylphenyl)methyl]ethanamide Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(o-tolylmethyl)acetamide CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-N-[(2-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2-methylphenyl)methyl]acetamide Traditional Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylbenzyl)acetamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H27N3O2/c1-17-6-3-4-7-18(17)15-22-21(25)16-23-10-12-24(13-11-23)19-8-5-9-20(14-19)26-2/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)/p+1