2-(4-phenylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-(4-phenyl-1-piperazin-1-iumyl)-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3)C

InChI

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