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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)OC

InChI

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