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

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)ethanamide Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-[oxo(propylamino)methyl]acetamide IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC(=C2C)C

Isomeric SMILES

CCCNC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC(=C2C)C

InChI

InChI=1S/C18H28N4O2/c1-4-8-19-18(24)20-17(23)13-21-9-11-22(12-10-21)16-7-5-6-14(2)15(16)3/h5-7H,4,8-13H2,1-3H3,(H2,19,20,23,24)/p+1