N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)NC(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)NC(=O)C)C

InChI

InChI=1S/C21H27N3O/c1-16-5-4-6-21(17(16)2)24-13-11-23(12-14-24)15-19-7-9-20(10-8-19)22-18(3)25/h4-10H,11-15H2,1-3H3,(H,22,25)/p+1