(2R)-2-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C[C@@H]3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C19H20N4O3/c24-18(13-17-19(25)21-15-3-1-2-4-16(15)26-17)23-11-9-22(10-12-23)14-5-7-20-8-6-14/h1-8,17H,9-13H2,(H,21,25)/p+1/t17-/m1/s1