3-[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-oxo-2-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]ethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]-1,3-benzoxazol-2-one Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H23N3O4/c25-20(16-24-18-8-4-5-9-19(18)28-21(24)26)23-12-10-22(11-13-23)14-15-27-17-6-2-1-3-7-17/h1-9H,10-16H2/p+1