5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-amine trihydrate hexahydrochloride

Systemtic Name: 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-amine trihydrate hexahydrochloride Openeye Name: 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-amine trihydrate hexahydrochloride CAS Name: 5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-amine trihydrate hexahydrochloride IUPAC Name: 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-amine trihydrate hexahydrochloride Traditional Name: [5-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]amine trihydrate hexahydrochloride Formula: C38H58Cl6N6O3S2 MolecularWeight: 923.75352

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)N.CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)N.O.O.O.Cl.Cl.Cl.Cl.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)N.CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)N.O.O.O.Cl.Cl.Cl.Cl.Cl.Cl

InChI

InChI=1S/2C19H23N3S.6ClH.3H2O/c2*1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19;;;;;;;;;/h2*2-7,13,17H,8-12,20H2,1H3;6*1H;3*1H2