3-ethyl-5-[[4-(imidazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]-1,2-oxazole

Systemtic Name: 3-ethyl-5-[[4-(imidazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 3-ethyl-5-[[4-(imidazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]isoxazole CAS Name: 3-ethyl-5-[[4-(1-imidazolylmethyl)-1-piperidin-1-iumyl]methyl]isoxazole IUPAC Name: 3-ethyl-5-[[4-(imidazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 3-ethyl-5-[[4-(imidazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]isoxazole Formula: C15H23N4O+ MolecularWeight: 275.36932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1)C[NH+]2CCC(CC2)CN3C=CN=C3

Isomeric SMILES

CCC1=NOC(=C1)C[NH+]2CCC(CC2)CN3C=CN=C3

InChI

InChI=1S/C15H22N4O/c1-2-14-9-15(20-17-14)11-18-6-3-13(4-7-18)10-19-8-5-16-12-19/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3/p+1