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

Systemtic Name: (3R)-3-ethyl-4-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-ethyl-4-[[2-(2-methoxyphenyl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: (3R)-3-ethyl-4-[[2-(2-methoxyphenyl)-5-methyl-4-oxazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-ethyl-4-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-ethyl-4-[[2-(2-methoxyphenyl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NCC[NH+]1CC2=C(OC(=N2)C3=CC=CC=C3OC)C

Isomeric SMILES

CC[C@@H]1C(=O)NCC[NH+]1CC2=C(OC(=N2)C3=CC=CC=C3OC)C

InChI

InChI=1S/C18H23N3O3/c1-4-15-17(22)19-9-10-21(15)11-14-12(2)24-18(20-14)13-7-5-6-8-16(13)23-3/h5-8,15H,4,9-11H2,1-3H3,(H,19,22)/p+1/t15-/m1/s1