1-cyclohexyl-4-[2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperazin-2-one

Systemtic Name: 1-cyclohexyl-4-[2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperazin-2-one Openeye Name: 1-cyclohexyl-4-[2-[(2R)-3-oxo-1-(p-tolylmethyl)piperazin-1-ium-2-yl]acetyl]piperazin-2-one CAS Name: 1-cyclohexyl-4-[2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]-2-piperazinone IUPAC Name: 1-cyclohexyl-4-[2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetyl]piperazin-2-one Traditional Name: 1-cyclohexyl-4-[2-[(2R)-3-keto-1-(4-methylbenzyl)piperazin-1-ium-2-yl]acetyl]piperazin-2-one Formula: C24H35N4O3+ MolecularWeight: 427.5597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)N3CCN(C(=O)C3)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCN(C(=O)C3)C4CCCCC4

InChI

InChI=1S/C24H34N4O3/c1-18-7-9-19(10-8-18)16-26-12-11-25-24(31)21(26)15-22(29)27-13-14-28(23(30)17-27)20-5-3-2-4-6-20/h7-10,20-21H,2-6,11-17H2,1H3,(H,25,31)/p+1/t21-/m1/s1