N-(2,6-dimethylphenyl)-2-[4-(2-methoxyethanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(2-methoxyethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(2-methoxyacetyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-(2-methoxy-1-oxoethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(2-methoxyacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(2-methoxyacetyl)piperazin-1-ium-1-yl]acetamide Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-13-5-4-6-14(2)17(13)18-15(21)11-19-7-9-20(10-8-19)16(22)12-23-3/h4-6H,7-12H2,1-3H3,(H,18,21)/p+1