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

Systemtic Name: N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]ethanamide Openeye Name: N-[3-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]phenyl]acetamide CAS Name: N-[3-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]acetamide IUPAC Name: N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]acetamide Traditional Name: N-[3-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]phenyl]acetamide Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C21H25N3O2/c1-16-6-3-4-7-19(16)15-23-10-12-24(13-11-23)21(26)18-8-5-9-20(14-18)22-17(2)25/h3-9,14H,10-13,15H2,1-2H3,(H,22,25)/p+1