4,6-dimethyl-2-piperazin-4-ium-1-yl-1,3-benzothiazole

Systemtic Name: 4,6-dimethyl-2-piperazin-4-ium-1-yl-1,3-benzothiazole Openeye Name: 4,6-dimethyl-2-piperazin-4-ium-1-yl-1,3-benzothiazole CAS Name: 4,6-dimethyl-2-(1-piperazin-4-iumyl)-1,3-benzothiazole IUPAC Name: 4,6-dimethyl-2-piperazin-4-ium-1-yl-1,3-benzothiazole Traditional Name: 4,6-dimethyl-2-piperazin-4-ium-1-yl-1,3-benzothiazole Formula: C13H18N3S+ MolecularWeight: 248.36712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CC[NH2+]CC3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CC[NH2+]CC3)C

InChI

InChI=1S/C13H17N3S/c1-9-7-10(2)12-11(8-9)17-13(15-12)16-5-3-14-4-6-16/h7-8,14H,3-6H2,1-2H3/p+1