2-[3-[4-(phenylmethyl)piperazin-1-yl]propylsulfanyl]-1H-indole hydrochloride

Systemtic Name: 2-[3-[4-(phenylmethyl)piperazin-1-yl]propylsulfanyl]-1H-indole hydrochloride Openeye Name: 2-[3-(4-benzylpiperazin-1-yl)propylsulfanyl]-1H-indole hydrochloride CAS Name: 2-[3-[4-(phenylmethyl)-1-piperazinyl]propylthio]-1H-indole hydrochloride IUPAC Name: 2-[3-(4-benzylpiperazin-1-yl)propylsulfanyl]-1H-indole hydrochloride Traditional Name: 2-[3-(4-benzylpiperazino)propylthio]-1H-indole hydrochloride Formula: C22H28ClN3S MolecularWeight: 401.99582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCSC2=CC3=CC=CC=C3N2)CC4=CC=CC=C4.Cl

Isomeric SMILES

C1CN(CCN1CCCSC2=CC3=CC=CC=C3N2)CC4=CC=CC=C4.Cl

InChI

InChI=1S/C22H27N3S.ClH/c1-2-7-19(8-3-1)18-25-14-12-24(13-15-25)11-6-16-26-22-17-20-9-4-5-10-21(20)23-22;/h1-5,7-10,17,23H,6,11-16,18H2;1H