methyl-(1H-pyrazol-4-ylmethyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)azanium

Systemtic Name: methyl-(1H-pyrazol-4-ylmethyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)azanium Openeye Name: methyl-(1H-pyrazol-4-ylmethyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ammonium CAS Name: methyl-(1H-pyrazol-4-ylmethyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ammonium IUPAC Name: methyl-(1H-pyrazol-4-ylmethyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)azanium Traditional Name: methyl-(1H-pyrazol-4-ylmethyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ammonium Formula: C13H19N4S+ MolecularWeight: 263.38176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CNN=C1)CC2=NC3=C(S2)CCCC3

Isomeric SMILES

C[NH+](CC1=CNN=C1)CC2=NC3=C(S2)CCCC3

InChI

InChI=1S/C13H18N4S/c1-17(8-10-6-14-15-7-10)9-13-16-11-4-2-3-5-12(11)18-13/h6-7H,2-5,8-9H2,1H3,(H,14,15)/p+1