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

Systemtic Name: 3-[4-oxidanylidene-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butyl]-1,3-benzoxazol-2-one Openeye Name: 3-[4-oxo-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]butyl]-1,3-benzoxazol-2-one CAS Name: 3-[4-oxo-4-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]butyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butyl]-1,3-benzoxazol-2-one Traditional Name: 3-[4-keto-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]butyl]-1,3-benzoxazol-2-one Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H24N4O3/c26-20(6-3-11-25-18-4-1-2-5-19(18)28-21(25)27)24-14-12-23(13-15-24)16-17-7-9-22-10-8-17/h1-2,4-5,7-10H,3,6,11-16H2/p+1