4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidanidyl-piperazin-1-ium hydrate hydrochloride

Systemtic Name: 4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidanidyl-piperazin-1-ium hydrate hydrochloride Openeye Name: 4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxido-piperazin-1-ium hydrate hydrochloride CAS Name: 4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidopiperazin-1-ium hydrate hydrochloride IUPAC Name: 4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidopiperazin-1-ium hydrate hydrochloride Traditional Name: 4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxido-piperazin-1-ium hydrate hydrochloride Formula: C19H25ClN2O2S MolecularWeight: 380.932

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2CC3=CC=CC=C3SC4=CC=CC=C24)[O-].O.Cl

Isomeric SMILES

C[N+]1(CCN(CC1)C2CC3=CC=CC=C3SC4=CC=CC=C24)[O-].O.Cl

InChI

InChI=1S/C19H22N2OS.ClH.H2O/c1-21(22)12-10-20(11-13-21)17-14-15-6-2-4-8-18(15)23-19-9-5-3-7-16(17)19;;/h2-9,17H,10-14H2,1H3;1H;1H2