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

Systemtic Name: 5-chloranyl-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-chloro-1,3-benzoxazol-2-one CAS Name: 5-chloro-3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-chloro-1,3-benzoxazol-2-one Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-chloro-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)CN3C4=C(C=CC(=C4)Cl)OC3=O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CN3C4=C(C=CC(=C4)Cl)OC3=O

InChI

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