N-[4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-(2,5-dimethylphenyl)-1-piperazin-1-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(2,5-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=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

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

InChI

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