2-[(1R)-1-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(2-thenyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C19H24N4OS+2 MolecularWeight: 356.48506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C19H22N4OS/c1-14(18-20-17-7-3-2-6-16(17)19(24)21-18)23-10-8-22(9-11-23)13-15-5-4-12-25-15/h2-7,12,14H,8-11,13H2,1H3,(H,20,21,24)/p+2/t14-/m1/s1