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

Systemtic Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]isoxazole-3-carboxamide CAS Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[2-(4-methyl-1-piperazin-4-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]isoxazole-3-carboxamide Formula: C20H29N4O3+ MolecularWeight: 373.46926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=CC(=NO2)C(=O)NCCN3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=CC(=NO2)C(=O)NCCN3CC[NH+](CC3)C)C

InChI

InChI=1S/C20H28N4O3/c1-15-4-5-17(12-16(15)2)26-14-18-13-19(22-27-18)20(25)21-6-7-24-10-8-23(3)9-11-24/h4-5,12-13H,6-11,14H2,1-3H3,(H,21,25)/p+1