7-methyl-2-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 7-methyl-2-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 7-methyl-2-[[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 7-methyl-2-[[4-(1-naphthalenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 7-methyl-2-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 7-methyl-2-[[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C22H25N5OS+2 MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(=N1)SC(=N2)C[NH+]3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=O)N2C(=N1)SC(=N2)C[NH+]3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

InChI

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