N-butyl-2-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[[3-(2-methoxyphenyl)isoxazol-5-yl]methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[[3-(2-methoxyphenyl)-5-isoxazolyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[[3-(2-methoxyphenyl)isoxazol-5-yl]methyl]piperazin-1-ium-1-yl]acetamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)CC2=CC(=NO2)C3=CC=CC=C3OC

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)CC2=CC(=NO2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H30N4O3/c1-3-4-9-22-21(26)16-25-12-10-24(11-13-25)15-17-14-19(23-28-17)18-7-5-6-8-20(18)27-2/h5-8,14H,3-4,9-13,15-16H2,1-2H3,(H,22,26)/p+1