[4-[[4-[2-(2-methoxyphenyl)ethylamino]quinazolin-2-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[[4-[2-(2-methoxyphenyl)ethylamino]quinazolin-2-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[[4-[2-(2-methoxyphenyl)ethylamino]quinazolin-2-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[[4-[2-(2-methoxyphenyl)ethylamino]-2-quinazolinyl]methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[[4-[2-(2-methoxyphenyl)ethylamino]quinazolin-2-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[[4-[2-(2-methoxyphenyl)ethylamino]quinazolin-2-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C27H30N5O2S+ MolecularWeight: 488.6244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNC2=NC(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC=CC=C1CCNC2=NC(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H29N5O2S/c1-34-23-10-5-2-7-20(23)12-13-28-26-21-8-3-4-9-22(21)29-25(30-26)19-31-14-16-32(17-15-31)27(33)24-11-6-18-35-24/h2-11,18H,12-17,19H2,1H3,(H,28,29,30)/p+1