5-methyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-methyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-methyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]isoxazole-3-carboxamide CAS Name: 5-methyl-N-[[4-(4-methyl-1-piperazin-4-iumyl)phenyl]methyl]-3-isoxazolecarboxamide IUPAC Name: 5-methyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)benzyl]isoxazole-3-carboxamide Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NCC2=CC=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=NO1)C(=O)NCC2=CC=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H22N4O2/c1-13-11-16(19-23-13)17(22)18-12-14-3-5-15(6-4-14)21-9-7-20(2)8-10-21/h3-6,11H,7-10,12H2,1-2H3,(H,18,22)/p+1