4-[2-[(2R)-1-cyclopentyl-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CCN(CC2=O)C(=O)CC3C(=O)NCC[NH+]3C4CCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CCN(CC2=O)C(=O)C[C@@H]3C(=O)NCC[NH+]3C4CCCC4)C

InChI

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