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

Systemtic Name: N-cyclooctyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-cyclooctyl-2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-cyclooctyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclooctyl-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-cyclooctyl-2-[(2R)-3-keto-1-(2-methylbenzyl)piperazin-1-ium-2-yl]acetamide Formula: C22H34N3O2+ MolecularWeight: 372.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)NC3CCCCCCC3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)NC3CCCCCCC3

InChI

InChI=1S/C22H33N3O2/c1-17-9-7-8-10-18(17)16-25-14-13-23-22(27)20(25)15-21(26)24-19-11-5-3-2-4-6-12-19/h7-10,19-20H,2-6,11-16H2,1H3,(H,23,27)(H,24,26)/p+1/t20-/m1/s1