3-chloranyl-5-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11,11-dioxide

Systemtic Name: 3-chloranyl-5-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11,11-dioxide Openeye Name: 3-chloro-5-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11,11-dioxide CAS Name: 3-chloro-5-(4-methyl-4-oxido-1-piperazin-4-iumyl)-5,6-dihydrobenzo[b][1]benzothiepin 11,11-dioxide IUPAC Name: 3-chloro-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11,11-dioxide Traditional Name: 3-chloro-5-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin 11,11-dioxide Formula: C19H21ClN2O3S MolecularWeight: 392.89964

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2CC3=CC=CC=C3S(=O)(=O)C4=C2C=C(C=C4)Cl)[O-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2CC3=CC=CC=C3S(=O)(=O)C4=C2C=C(C=C4)Cl)[O-]

InChI

InChI=1S/C19H21ClN2O3S/c1-22(23)10-8-21(9-11-22)17-12-14-4-2-3-5-18(14)26(24,25)19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3