(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (3-ethyl-5-methyl-isoxazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (3-ethyl-5-methyl-4-isoxazolyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (3-ethyl-5-methyl-isoxazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

InChI=1S/C16H20N4O2/c1-3-13-15(12(2)22-18-13)16(21)20-10-8-19(9-11-20)14-6-4-5-7-17-14/h4-7H,3,8-11H2,1-2H3/p+1