N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(5-methylisoxazol-3-yl)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]propionamide Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC3=NOC(=C3)C

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C18H24N4O2/c1-14-5-3-4-6-16(14)22-11-9-21(10-12-22)8-7-18(23)19-17-13-15(2)24-20-17/h3-6,13H,7-12H2,1-2H3,(H,19,20,23)/p+1