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

Systemtic Name: 2-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-(1-naphthalenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazole Formula: C23H25N3O+2 MolecularWeight: 359.4641

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC3=CC=CC=C32)CC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC3=CC=CC=C32)CC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C23H23N3O/c1-2-9-20-18(6-1)7-5-8-19(20)16-25-12-14-26(15-13-25)17-23-24-21-10-3-4-11-22(21)27-23/h1-11H,12-17H2/p+2