7-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-3H-1,3-benzoxazol-2-one

Systemtic Name: 7-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-3H-1,3-benzoxazol-2-one Openeye Name: 7-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-3H-1,3-benzoxazol-2-one CAS Name: 7-[4-[(3-bromophenyl)methyl]-1-piperazin-4-iumyl]-3H-1,3-benzoxazol-2-one IUPAC Name: 7-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-3H-1,3-benzoxazol-2-one Traditional Name: 7-[4-(3-bromobenzyl)piperazin-4-ium-1-yl]-3H-1,3-benzoxazol-2-one Formula: C18H19BrN3O2+ MolecularWeight: 389.26636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Br)C3=CC=CC4=C3OC(=O)N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Br)C3=CC=CC4=C3OC(=O)N4

InChI

InChI=1S/C18H18BrN3O2/c19-14-4-1-3-13(11-14)12-21-7-9-22(10-8-21)16-6-2-5-15-17(16)24-18(23)20-15/h1-6,11H,7-10,12H2,(H,20,23)/p+1