2-[[4-[(2-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-[(2-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-[(2-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-[(2-nitrophenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-[(2-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(2-nitrobenzyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzothiazole Formula: C19H22N4O2S+2 MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N4O2S/c24-23(25)17-7-3-1-5-15(17)13-21-9-11-22(12-10-21)14-19-20-16-6-2-4-8-18(16)26-19/h1-8H,9-14H2/p+2