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

Systemtic Name: 2-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propylsulfanyl]-1H-indole Openeye Name: 2-[3-(4-benzylpiperazin-1-ium-1-yl)propylsulfanyl]-1H-indole CAS Name: 2-[3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propylthio]-1H-indole IUPAC Name: 2-[3-(4-benzylpiperazin-1-ium-1-yl)propylsulfanyl]-1H-indole Traditional Name: 2-[3-(4-benzylpiperazin-1-ium-1-yl)propylthio]-1H-indole Formula: C22H28N3S+ MolecularWeight: 366.54282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCSC2=CC3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCCSC2=CC3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3S/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/p+1