1-cyclopentyl-4-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 1-cyclopentyl-4-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 1-cyclopentyl-4-[[2-(2,5-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 1-cyclopentyl-4-[[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 1-cyclopentyl-4-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 1-cyclopentyl-4-[[2-(2,5-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=C(C=CC(=C2)OC)OC)C[NH+]3CCN(C(=O)C3)C4CCCC4

Isomeric SMILES

CC1=C(N=C(O1)C2=C(C=CC(=C2)OC)OC)C[NH+]3CCN(C(=O)C3)C4CCCC4

InChI

InChI=1S/C22H29N3O4/c1-15-19(13-24-10-11-25(21(26)14-24)16-6-4-5-7-16)23-22(29-15)18-12-17(27-2)8-9-20(18)28-3/h8-9,12,16H,4-7,10-11,13-14H2,1-3H3/p+1