4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]-2-thiophen-3-yl-quinazoline

Systemtic Name: 4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]-2-thiophen-3-yl-quinazoline Openeye Name: 4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]-2-(3-thienyl)quinazoline CAS Name: 4-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]-2-(3-thiophenyl)quinazoline IUPAC Name: 4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]-2-thiophen-3-ylquinazoline Traditional Name: 4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]-2-(3-thienyl)quinazoline Formula: C22H22N5S+ MolecularWeight: 388.50858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CSC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CSC=C5

InChI

InChI=1S/C22H21N5S/c1-2-6-20-19(5-1)22(25-21(24-20)18-7-13-28-16-18)27-11-9-26(10-12-27)15-17-4-3-8-23-14-17/h1-8,13-14,16H,9-12,15H2/p+1