2-ethyl-4-methyl-5-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole

Systemtic Name: 2-ethyl-4-methyl-5-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 2-ethyl-4-methyl-5-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]oxazole CAS Name: 2-ethyl-4-methyl-5-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 2-ethyl-4-methyl-5-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 2-ethyl-4-methyl-5-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]oxazole Formula: C16H24N4O+2 MolecularWeight: 288.38796

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(O1)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C

Isomeric SMILES

CCC1=NC(=C(O1)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C

InChI

InChI=1S/C16H22N4O/c1-3-16-18-13(2)15(21-16)12-19-8-10-20(11-9-19)14-4-6-17-7-5-14/h4-7H,3,8-12H2,1-2H3/p+2