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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2CC(C3=CC=CC=C3S2)CCC4=CC=C(C=C4)[N+](=O)[O-].Cl

Isomeric SMILES

C1CN(CCN1)C2CC(C3=CC=CC=C3S2)CCC4=CC=C(C=C4)[N+](=O)[O-].Cl

InChI

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