3-[(2R)-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[(2R)-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]-1,3-benzoxazol-2-one Openeye Name: 3-[(1R)-1-methyl-2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-one CAS Name: 3-[(2R)-1-oxo-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propan-2-yl]-1,3-benzoxazol-2-one IUPAC Name: 3-[(2R)-1-oxo-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]-1,3-benzoxazol-2-one Traditional Name: 3-[(1R)-2-keto-1-methyl-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-1,3-benzoxazol-2-one Formula: C19H21N4O3+ MolecularWeight: 353.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)N3C4=CC=CC=C4OC3=O

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)N3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C19H20N4O3/c1-14(23-15-6-2-3-7-16(15)26-19(23)25)18(24)22-12-10-21(11-13-22)17-8-4-5-9-20-17/h2-9,14H,10-13H2,1H3/p+1/t14-/m1/s1