1-(3,4-dihydro-2H-thiochromen-4-yl)-4-[2-(4-nitrophenyl)ethyl]piperazine hydrochloride

Systemtic Name: 1-(3,4-dihydro-2H-thiochromen-4-yl)-4-[2-(4-nitrophenyl)ethyl]piperazine hydrochloride Openeye Name: 1-[2-(4-nitrophenyl)ethyl]-4-thiochroman-4-yl-piperazine hydrochloride CAS Name: 1-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-[2-(4-nitrophenyl)ethyl]piperazine hydrochloride IUPAC Name: 1-(3,4-dihydro-2H-thiochromen-4-yl)-4-[2-(4-nitrophenyl)ethyl]piperazine hydrochloride Traditional Name: 1-[2-(4-nitrophenyl)ethyl]-4-thiochroman-4-yl-piperazine hydrochloride Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1N3CCN(CC3)CCC4=CC=C(C=C4)[N+](=O)[O-].Cl

Isomeric SMILES

C1CSC2=CC=CC=C2C1N3CCN(CC3)CCC4=CC=C(C=C4)[N+](=O)[O-].Cl

InChI

InChI=1S/C21H25N3O2S.ClH/c25-24(26)18-7-5-17(6-8-18)9-11-22-12-14-23(15-13-22)20-10-16-27-21-4-2-1-3-19(20)21;/h1-8,20H,9-16H2;1H