1-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-methylsulfanyl-indole

Systemtic Name: 1-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-methylsulfanyl-indole Openeye Name: 1-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-methylsulfanyl-indole CAS Name: 1-methyl-3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-(methylthio)indole IUPAC Name: 1-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-methylsulfanylindole Traditional Name: 1-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-(methylthio)indole Formula: C16H25N3S+2 MolecularWeight: 291.4548

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C(N(C3=CC=CC=C32)C)SC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C(N(C3=CC=CC=C32)C)SC

InChI

InChI=1S/C16H23N3S/c1-17-8-10-19(11-9-17)12-14-13-6-4-5-7-15(13)18(2)16(14)20-3/h4-7H,8-12H2,1-3H3/p+2