N-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-methyl-piperidin-4-amine dihydrochloride

Systemtic Name: N-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-methyl-piperidin-4-amine dihydrochloride Openeye Name: N-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-methyl-piperidin-4-amine dihydrochloride CAS Name: N-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-methyl-4-piperidinamine dihydrochloride IUPAC Name: N-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-methylpiperidin-4-amine dihydrochloride Traditional Name: (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-(1-methyl-4-piperidyl)amine dihydrochloride Formula: C20H25Cl3N2S MolecularWeight: 431.8499

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24.Cl.Cl

Isomeric SMILES

CN1CCC(CC1)NC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24.Cl.Cl

InChI

InChI=1S/C20H23ClN2S.2ClH/c1-23-10-8-16(9-11-23)22-18-13-14-12-15(21)6-7-19(14)24-20-5-3-2-4-17(18)20;;/h2-7,12,16,18,22H,8-11,13H2,1H3;2*1H