4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidanidyl-piperazin-1-ium hydrochloride

Systemtic Name: 4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidanidyl-piperazin-1-ium hydrochloride Openeye Name: 4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxido-piperazin-1-ium hydrochloride CAS Name: 4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidopiperazin-1-ium hydrochloride IUPAC Name: 4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidopiperazin-1-ium hydrochloride Traditional Name: 4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxido-piperazin-1-ium hydrochloride Formula: C19H22Cl2N2OS MolecularWeight: 397.36178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)[O-].Cl

Isomeric SMILES

C[N+]1(CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)[O-].Cl

InChI

InChI=1S/C19H21ClN2OS.ClH/c1-22(23)10-8-21(9-11-22)17-12-14-4-2-3-5-18(14)24-19-7-6-15(20)13-16(17)19;/h2-7,13,17H,8-12H2,1H3;1H