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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-(m-tolylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[(3-methylphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(3-methylbenzyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CC[NH+](CC2)CC(=O)NC3=NOC(=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CC[NH+](CC2)CC(=O)NC3=NOC(=C3)C

InChI

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