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

Systemtic Name: 4-[3-oxidanylidene-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one Openeye Name: 4-[3-oxo-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one CAS Name: 4-[3-oxo-3-[4-(4-pyridin-1-iumyl)-1-piperazinyl]propyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[3-oxo-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-keto-3-(4-pyridin-1-ium-4-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=[NH+]C=C2)C(=O)CCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCN3C(=O)COC4=CC=CC=C43

InChI

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