5-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)imidazo[2,1-b][1,3,5]benzothiadiazepine

Systemtic Name: 5-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)imidazo[2,1-b][1,3,5]benzothiadiazepine Openeye Name: 5-(4-methyl-4-oxido-piperazin-4-ium-1-yl)imidazo[2,1-b][1,3,5]benzothiadiazepine CAS Name: 5-(4-methyl-4-oxido-1-piperazin-4-iumyl)imidazo[2,1-b][1,3,5]benzothiadiazepine IUPAC Name: 5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)imidazo[2,1-b][1,3,5]benzothiadiazepine Traditional Name: 5-(4-methyl-4-oxido-piperazin-4-ium-1-yl)imidazo[2,1-b][1,3,5]benzothiadiazepine Formula: C15H17N5OS MolecularWeight: 315.39338

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3SC4=NC=CN24)[O-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3SC4=NC=CN24)[O-]

InChI

InChI=1S/C15H17N5OS/c1-20(21)10-8-18(9-11-20)14-17-12-4-2-3-5-13(12)22-15-16-6-7-19(14)15/h2-7H,8-11H2,1H3