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

Systemtic Name: (7R)-4-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7R)-4-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7-(2-thienyl)-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7R)-4-methyl-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7R)-4-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7R)-4-methyl-2-(4-pyridin-1-ium-2-ylpiperazino)-7-(2-thienyl)-7,8-dihydro-6H-quinazolin-5-one Formula: C22H24N5OS+ MolecularWeight: 406.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C(=O)CC(C2)C3=CC=CS3)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=NC(=NC2=C1C(=O)C[C@@H](C2)C3=CC=CS3)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C22H23N5OS/c1-15-21-17(13-16(14-18(21)28)19-5-4-12-29-19)25-22(24-15)27-10-8-26(9-11-27)20-6-2-3-7-23-20/h2-7,12,16H,8-11,13-14H2,1H3/p+1/t16-/m1/s1