[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(4-pyridyl)methanone CAS Name: [4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]-pyridin-4-ylmethanone IUPAC Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(4-pyridyl)methanone Formula: C19H20N3OS+ MolecularWeight: 338.4466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C(=O)C4=CC=NC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C19H19N3OS/c23-19(15-5-7-20-8-6-15)22-11-9-21(10-12-22)13-16-14-24-18-4-2-1-3-17(16)18/h1-8,14H,9-13H2/p+1