1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-[(4-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-[(4-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]ethanone Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-[[4-(2-thienyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]ethanone CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-[(4-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]ethanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-[(4-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]ethanone Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-2-[[4-(2-thienyl)-5,6,7,8-tetrahydroquinazolin-2-yl]thio]ethanone Formula: C23H26N5OS2+ MolecularWeight: 452.61544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC(=NC(=C2C1)C3=CC=CS3)SCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CCC2=NC(=NC(=C2C1)C3=CC=CS3)SCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H25N5OS2/c29-21(28-13-11-27(12-14-28)20-9-3-4-10-24-20)16-31-23-25-18-7-2-1-6-17(18)22(26-23)19-8-5-15-30-19/h3-5,8-10,15H,1-2,6-7,11-14,16H2/p+1