2-[(1R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C22H25N5OS+2 MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H23N5OS/c1-15(21-24-17-7-3-2-6-16(17)22(28)25-21)27-12-10-26(11-13-27)14-20-23-18-8-4-5-9-19(18)29-20/h2-9,15H,10-14H2,1H3,(H,24,25,28)/p+2/t15-/m1/s1