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

Systemtic Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(2-methylphenyl)methyl]ethanamide Openeye Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-piperazin-1-ium-2-yl]-N-(o-tolylmethyl)acetamide CAS Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-2-piperazin-1-iumyl]-N-[(2-methylphenyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-1-ium-2-yl]-N-[(2-methylphenyl)methyl]acetamide Traditional Name: 2-[(2R)-1-(cyclohexylmethyl)-3-keto-piperazin-1-ium-2-yl]-N-(2-methylbenzyl)acetamide Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)CC2C(=O)NCC[NH+]2CC3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3CCCCC3

InChI

InChI=1S/C21H31N3O2/c1-16-7-5-6-10-18(16)14-23-20(25)13-19-21(26)22-11-12-24(19)15-17-8-3-2-4-9-17/h5-7,10,17,19H,2-4,8-9,11-15H2,1H3,(H,22,26)(H,23,25)/p+1/t19-/m1/s1