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

Systemtic Name: 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-amine trihydrochloride Openeye Name: 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-amine trihydrochloride CAS Name: 5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-amine trihydrochloride IUPAC Name: 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-amine trihydrochloride Traditional Name: [5-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]amine trihydrochloride Formula: C19H26Cl3N3S MolecularWeight: 434.85384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3S.3ClH/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19;;;/h2-7,13,17H,8-12,20H2,1H3;3*1H