2-(4-methyl-4-phenyl-piperazin-4-ium-1-yl)-1,3-benzoxazole

Systemtic Name: 2-(4-methyl-4-phenyl-piperazin-4-ium-1-yl)-1,3-benzoxazole Openeye Name: 2-(4-methyl-4-phenyl-piperazin-4-ium-1-yl)-1,3-benzoxazole CAS Name: 2-(4-methyl-4-phenyl-1-piperazin-4-iumyl)-1,3-benzoxazole IUPAC Name: 2-(4-methyl-4-phenylpiperazin-4-ium-1-yl)-1,3-benzoxazole Traditional Name: 2-(4-methyl-4-phenyl-piperazin-4-ium-1-yl)-1,3-benzoxazole Formula: C18H20N3O+ MolecularWeight: 294.3709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C18H20N3O/c1-21(15-7-3-2-4-8-15)13-11-20(12-14-21)18-19-16-9-5-6-10-17(16)22-18/h2-10H,11-14H2,1H3/q+1