[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C17H22N3OS2+ MolecularWeight: 348.50608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)CSC(=S)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)CSC(=S)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H21N3OS2/c1-12-16(13-5-3-4-6-14(13)18-12)15(21)11-23-17(22)20-9-7-19(2)8-10-20/h3-6,18H,7-11H2,1-2H3/p+1