1-(5-methyl-1,2-oxazol-3-yl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]urea

Systemtic Name: 1-(5-methyl-1,2-oxazol-3-yl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]urea Openeye Name: 1-(5-methylisoxazol-3-yl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]urea CAS Name: 1-(5-methyl-3-isoxazolyl)-3-[[6-(4-methyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-(5-methyl-1,2-oxazol-3-yl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]urea Traditional Name: 1-(5-methylisoxazol-3-yl)-3-[[6-(4-methylpiperazino)pyridin-1-ium-3-yl]methyl]urea Formula: C16H23N6O2+ MolecularWeight: 331.39282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)NCC2=C[NH+]=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)NCC2=C[NH+]=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C16H22N6O2/c1-12-9-14(20-24-12)19-16(23)18-11-13-3-4-15(17-10-13)22-7-5-21(2)6-8-22/h3-4,9-10H,5-8,11H2,1-2H3,(H2,18,19,20,23)/p+1