4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-thiophen-2-yl-quinazoline

Systemtic Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-thiophen-2-yl-quinazoline Openeye Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(2-thienyl)quinazoline CAS Name: 4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-thiophen-2-ylquinazoline IUPAC Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-thiophen-2-ylquinazoline Traditional Name: 4-(4-pyridin-1-ium-2-ylpiperazino)-2-(2-thienyl)quinazoline Formula: C21H20N5S+ MolecularWeight: 374.482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C21H19N5S/c1-2-7-17-16(6-1)21(24-20(23-17)18-8-5-15-27-18)26-13-11-25(12-14-26)19-9-3-4-10-22-19/h1-10,15H,11-14H2/p+1