2-(4-methoxyphenyl)-4-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-(4-methoxyphenyl)-4-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(4-methoxyphenyl)-4-[[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(4-methoxyphenyl)-4-[[4-[2-(3-pyridinyl)-4-quinazolinyl]-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(4-methoxyphenyl)-4-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(4-methoxyphenyl)-4-[[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]thiazole Formula: C28H27N6OS+ MolecularWeight: 495.61858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC(=NC5=CC=CC=C54)C6=CN=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC(=NC5=CC=CC=C54)C6=CN=CC=C6

InChI

InChI=1S/C28H26N6OS/c1-35-23-10-8-20(9-11-23)28-30-22(19-36-28)18-33-13-15-34(16-14-33)27-24-6-2-3-7-25(24)31-26(32-27)21-5-4-12-29-17-21/h2-12,17,19H,13-16,18H2,1H3/p+1