2-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[[3-(2-methoxyphenyl)isoxazol-5-yl]methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[3-(2-methoxyphenyl)-5-isoxazolyl]methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[[3-(2-methoxyphenyl)isoxazol-5-yl]methyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NOC(=C2)CN3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C2=NOC(=C2)CN3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C21H28N4O3/c1-27-20-7-3-2-6-18(20)19-14-17(28-22-19)15-23-10-12-24(13-11-23)16-21(26)25-8-4-5-9-25/h2-3,6-7,14H,4-5,8-13,15-16H2,1H3/p+1