1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-(1,3-benzoxazol-2-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C14H18N3O2+ MolecularWeight: 260.31162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C14H17N3O2/c1-11(18)17-8-6-16(7-9-17)10-14-15-12-4-2-3-5-13(12)19-14/h2-5H,6-10H2,1H3/p+1