2-[(2R)-1-methyl-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(3-methylphenyl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-methyl-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(3-methylphenyl)methyl]ethanamide Openeye Name: 2-[(2R)-1-methyl-3-oxo-piperazin-1-ium-2-yl]-N-(m-tolylmethyl)acetamide CAS Name: 2-[(2R)-1-methyl-3-oxo-2-piperazin-1-iumyl]-N-[(3-methylphenyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-methyl-3-oxopiperazin-1-ium-2-yl]-N-[(3-methylphenyl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-methyl-piperazin-1-ium-2-yl]-N-(3-methylbenzyl)acetamide Formula: C15H22N3O2+ MolecularWeight: 276.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)CC2C(=O)NCC[NH+]2C

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2C

InChI

InChI=1S/C15H21N3O2/c1-11-4-3-5-12(8-11)10-17-14(19)9-13-15(20)16-6-7-18(13)2/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,16,20)(H,17,19)/p+1/t13-/m1/s1