3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,3-benzoxazole-2-thione Formula: C13H18N3OS+ MolecularWeight: 264.36652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CN2C3=CC=CC=C3OC2=S

Isomeric SMILES

C[NH+]1CCN(CC1)CN2C3=CC=CC=C3OC2=S

InChI

InChI=1S/C13H17N3OS/c1-14-6-8-15(9-7-14)10-16-11-4-2-3-5-12(11)17-13(16)18/h2-5H,6-10H2,1H3/p+1