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

Systemtic Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3-benzoxazole-2-thione Formula: C14H20N3OS+ MolecularWeight: 278.3931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3OS/c1-2-15-7-9-16(10-8-15)11-17-12-5-3-4-6-13(12)18-14(17)19/h3-6H,2,7-11H2,1H3/p+1