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

Systemtic Name: (3S)-4-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-ethyl-3-methyl-piperazin-4-ium-2-one Openeye Name: (3S)-4-[[2-(2-ethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]-1-ethyl-3-methyl-piperazin-4-ium-2-one CAS Name: (3S)-4-[[2-(2-ethoxyphenyl)-5-methyl-4-oxazolyl]methyl]-1-ethyl-3-methyl-2-piperazin-4-iumone IUPAC Name: (3S)-4-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-ethyl-3-methylpiperazin-4-ium-2-one Traditional Name: (3S)-1-ethyl-3-methyl-4-[(5-methyl-2-o-phenetyl-oxazol-4-yl)methyl]piperazin-4-ium-2-one Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](C(C1=O)C)CC2=C(OC(=N2)C3=CC=CC=C3OCC)C

Isomeric SMILES

CCN1CC[NH+]([C@H](C1=O)C)CC2=C(OC(=N2)C3=CC=CC=C3OCC)C

InChI

InChI=1S/C20H27N3O3/c1-5-22-11-12-23(14(3)20(22)24)13-17-15(4)26-19(21-17)16-9-7-8-10-18(16)25-6-2/h7-10,14H,5-6,11-13H2,1-4H3/p+1/t14-/m0/s1