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

Systemtic Name: 1-cyclopentyl-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 1-cyclopentyl-4-[[2-(4-ethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 1-cyclopentyl-4-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 1-cyclopentyl-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 1-cyclopentyl-4-[(5-methyl-2-p-phenetyl-oxazol-4-yl)methyl]piperazin-4-ium-2-one Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)C[NH+]3CCN(C(=O)C3)C4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)C[NH+]3CCN(C(=O)C3)C4CCCC4

InChI

InChI=1S/C22H29N3O3/c1-3-27-19-10-8-17(9-11-19)22-23-20(16(2)28-22)14-24-12-13-25(21(26)15-24)18-6-4-5-7-18/h8-11,18H,3-7,12-15H2,1-2H3/p+1