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

Systemtic Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (5-methyl-3-phenyl-isoxazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (5-methyl-3-phenyl-4-isoxazolyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (5-methyl-3-phenyl-isoxazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H20N4O2/c1-15-18(19(22-26-15)16-7-3-2-4-8-16)20(25)24-13-11-23(12-14-24)17-9-5-6-10-21-17/h2-10H,11-14H2,1H3/p+1