2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5-(pyrazol-1-ylmethyl)-1,3-thiazole

Systemtic Name: 2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5-(pyrazol-1-ylmethyl)-1,3-thiazole Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-(pyrazol-1-ylmethyl)thiazole CAS Name: 2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5-(1-pyrazolylmethyl)thiazole IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-(pyrazol-1-ylmethyl)-1,3-thiazole Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-(pyrazol-1-ylmethyl)thiazole Formula: C18H22N5S+ MolecularWeight: 340.46578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=C(S3)CN4C=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=C(S3)CN4C=CC=N4

InChI

InChI=1S/C18H21N5S/c1-2-5-16(6-3-1)14-21-9-11-22(12-10-21)18-19-13-17(24-18)15-23-8-4-7-20-23/h1-8,13H,9-12,14-15H2/p+1