1-(phenylmethyl)-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride

Systemtic Name: 1-(phenylmethyl)-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride Openeye Name: 1-benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride CAS Name: 1-(phenylmethyl)-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride IUPAC Name: 1-benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride Traditional Name: 1-benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride Formula: C21H28Cl2N2S MolecularWeight: 411.43142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2SC1)N3CCN(CC3)CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1CC(C2=CC=CC=C2SC1)N3CCN(CC3)CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C21H26N2S.2ClH/c1-2-7-18(8-3-1)17-22-12-14-23(15-13-22)20-10-6-16-24-21-11-5-4-9-19(20)21;;/h1-5,7-9,11,20H,6,10,12-17H2;2*1H