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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(2-pyrrolidin-1-ium-1-ylethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(2-pyrrolidin-1-ium-1-ylacetyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(2-pyrrolidin-1-ium-1-ylacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(2-pyrrolidin-1-ium-1-ylacetyl)piperazin-1-ium-1-yl]acetamide Formula: C20H32N4O2+2 MolecularWeight: 360.49368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH+]3CCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH+]3CCCC3

InChI

InChI=1S/C20H30N4O2/c1-16-6-5-7-17(2)20(16)21-18(25)14-23-10-12-24(13-11-23)19(26)15-22-8-3-4-9-22/h5-7H,3-4,8-15H2,1-2H3,(H,21,25)/p+2