2-[(2R)-1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[2-(4-methoxyphenyl)ethyl]ethanamide

Systemtic Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[2-(4-methoxyphenyl)ethyl]ethanamide Openeye Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-piperazin-1-ium-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide CAS Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-2-piperazin-1-iumyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-1-ium-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide Traditional Name: 2-[(2R)-1-(cyclohexylmethyl)-3-keto-piperazin-1-ium-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide Formula: C22H34N3O3+ MolecularWeight: 388.52366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)CC2C(=O)NCC[NH+]2CC3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3CCCCC3

InChI

InChI=1S/C22H33N3O3/c1-28-19-9-7-17(8-10-19)11-12-23-21(26)15-20-22(27)24-13-14-25(20)16-18-5-3-2-4-6-18/h7-10,18,20H,2-6,11-16H2,1H3,(H,23,26)(H,24,27)/p+1/t20-/m1/s1