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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCN3C4=CC=CC=C4OC3=O

InChI

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