7-[4-oxidanidyl-4-(phenylmethyl)piperazin-4-ium-1-yl]-3H-1,3-benzoxazol-2-one

Systemtic Name: 7-[4-oxidanidyl-4-(phenylmethyl)piperazin-4-ium-1-yl]-3H-1,3-benzoxazol-2-one Openeye Name: 7-(4-benzyl-4-oxido-piperazin-4-ium-1-yl)-3H-1,3-benzoxazol-2-one CAS Name: 7-[4-oxido-4-(phenylmethyl)-1-piperazin-4-iumyl]-3H-1,3-benzoxazol-2-one IUPAC Name: 7-(4-benzyl-4-oxidopiperazin-4-ium-1-yl)-3H-1,3-benzoxazol-2-one Traditional Name: 7-(4-benzyl-4-oxido-piperazin-4-ium-1-yl)-3H-1,3-benzoxazol-2-one Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1C2=CC=CC3=C2OC(=O)N3)(CC4=CC=CC=C4)[O-]

Isomeric SMILES

C1C[N+](CCN1C2=CC=CC3=C2OC(=O)N3)(CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C18H19N3O3/c22-18-19-15-7-4-8-16(17(15)24-18)20-9-11-21(23,12-10-20)13-14-5-2-1-3-6-14/h1-8H,9-13H2,(H,19,22)