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

Systemtic Name: 4-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one Openeye Name: 4-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one CAS Name: 4-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]-1,4-benzoxazin-3-one Formula: C20H23N4O3+ MolecularWeight: 367.42162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C20H22N4O3/c25-19(23-13-11-22(12-14-23)18-7-3-4-9-21-18)8-10-24-16-5-1-2-6-17(16)27-15-20(24)26/h1-7,9H,8,10-15H2/p+1