3-[[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-[(3-chlorophenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(3-chlorobenzyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C19H22ClN3O2+2 MolecularWeight: 359.84988

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)Cl)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)Cl)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C19H20ClN3O2/c20-16-5-3-4-15(12-16)13-21-8-10-22(11-9-21)14-23-17-6-1-2-7-18(17)25-19(23)24/h1-7,12H,8-11,13-14H2/p+2