[(3S)-4-methyl-3-phenyl-piperazin-4-ium-1-yl]-[5-[(6-methylpyridin-3-yl)oxymethyl]-1,2-oxazol-3-yl]methanone

Systemtic Name: [(3S)-4-methyl-3-phenyl-piperazin-4-ium-1-yl]-[5-[(6-methylpyridin-3-yl)oxymethyl]-1,2-oxazol-3-yl]methanone Openeye Name: [(3S)-4-methyl-3-phenyl-piperazin-4-ium-1-yl]-[5-[(6-methyl-3-pyridyl)oxymethyl]isoxazol-3-yl]methanone CAS Name: [(3S)-4-methyl-3-phenyl-1-piperazin-4-iumyl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-3-isoxazolyl]methanone IUPAC Name: [(3S)-4-methyl-3-phenylpiperazin-4-ium-1-yl]-[5-[(6-methylpyridin-3-yl)oxymethyl]-1,2-oxazol-3-yl]methanone Traditional Name: [(3S)-4-methyl-3-phenyl-piperazin-4-ium-1-yl]-[5-[(6-methyl-3-pyridyl)oxymethyl]isoxazol-3-yl]methanone Formula: C22H25N4O3+ MolecularWeight: 393.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)OCC2=CC(=NO2)C(=O)N3CC[NH+](C(C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=NC=C(C=C1)OCC2=CC(=NO2)C(=O)N3CC[NH+]([C@H](C3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H24N4O3/c1-16-8-9-18(13-23-16)28-15-19-12-20(24-29-19)22(27)26-11-10-25(2)21(14-26)17-6-4-3-5-7-17/h3-9,12-13,21H,10-11,14-15H2,1-2H3/p+1/t21-/m1/s1