3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(3,5-dimethylisoxazol-4-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(3,5-dimethyl-4-isoxazolyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(3,5-dimethylisoxazol-4-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(C(=NO1)C)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H22N4O2/c1-13-15(14(2)23-19-13)6-7-17(22)21-11-9-20(10-12-21)16-5-3-4-8-18-16/h3-5,8H,6-7,9-12H2,1-2H3/p+1