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

Systemtic Name: 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline CAS Name: 4-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-2-pyridin-3-ylquinazoline Traditional Name: 4-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline Formula: C26H24N5S+ MolecularWeight: 438.56726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C4=NC(=NC5=CC=CC=C54)C6=CN=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C4=NC(=NC5=CC=CC=C54)C6=CN=CC=C6

InChI

InChI=1S/C26H23N5S/c1-3-9-23-22(8-1)26(29-25(28-23)19-6-5-11-27-16-19)31-14-12-30(13-15-31)17-20-18-32-24-10-4-2-7-21(20)24/h1-11,16,18H,12-15,17H2/p+1