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

Systemtic Name: 3-[[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C23H24N3O2+ MolecularWeight: 374.45556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=O)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=O)CC4=CC=CC5=CC=CC=C54

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+1