(7R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: (7R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7-(2-thienyl)-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7R)-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7R)-2-(4-pyridin-1-ium-2-ylpiperazino)-7-(2-thienyl)-7,8-dihydro-6H-quinazolin-5-one Formula: C21H22N5OS+ MolecularWeight: 392.49728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC=C4C(=N3)CC(CC4=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC=C4C(=N3)C[C@H](CC4=O)C5=CC=CS5

InChI

InChI=1S/C21H21N5OS/c27-18-13-15(19-4-3-11-28-19)12-17-16(18)14-23-21(24-17)26-9-7-25(8-10-26)20-5-1-2-6-22-20/h1-6,11,14-15H,7-10,12-13H2/p+1/t15-/m1/s1