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

Systemtic Name: 3-[4-oxidanylidene-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butyl]-1,3-benzoxazol-2-one Openeye Name: 3-[4-oxo-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butyl]-1,3-benzoxazol-2-one CAS Name: 3-[4-oxo-4-[4-(4-pyridin-1-iumyl)-1-piperazinyl]butyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[4-oxo-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butyl]-1,3-benzoxazol-2-one Traditional Name: 3-[4-keto-4-(4-pyridin-1-ium-4-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=[NH+]C=C2)C(=O)CCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCCN3C4=CC=CC=C4OC3=O

InChI

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