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

Systemtic Name: 3-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-(1-naphthalenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C23H25N3O2+2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC3=CC=CC=C32)CN4C5=CC=CC=C5OC4=O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC3=CC=CC=C32)CN4C5=CC=CC=C5OC4=O

InChI

InChI=1S/C23H23N3O2/c27-23-26(21-10-3-4-11-22(21)28-23)17-25-14-12-24(13-15-25)16-19-8-5-7-18-6-1-2-9-20(18)19/h1-11H,12-17H2/p+2