5-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)-11H-imidazo[1,2-c][1,3]benzodiazepine

Systemtic Name: 5-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)-11H-imidazo[1,2-c][1,3]benzodiazepine Openeye Name: 5-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-11H-imidazo[1,2-c][1,3]benzodiazepine CAS Name: 5-(4-methyl-4-oxido-1-piperazin-4-iumyl)-11H-imidazo[1,2-c][1,3]benzodiazepine IUPAC Name: 5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-11H-imidazo[1,2-c][1,3]benzodiazepine Traditional Name: 5-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-11H-imidazo[1,2-c][1,3]benzodiazepine Formula: C16H19N5O MolecularWeight: 297.35496

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3CC4=NC=CN42)[O-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3CC4=NC=CN42)[O-]

InChI

InChI=1S/C16H19N5O/c1-21(22)10-8-19(9-11-21)16-18-14-5-3-2-4-13(14)12-15-17-6-7-20(15)16/h2-7H,8-12H2,1H3