5-[2-[4-azanylidene-2-methyl-2-(2-methylsulfanylphenyl)piperazin-4-ium-1-yl]ethyl]-6-chloranyl-1,3-dihydroindol-2-one

Systemtic Name: 5-[2-[4-azanylidene-2-methyl-2-(2-methylsulfanylphenyl)piperazin-4-ium-1-yl]ethyl]-6-chloranyl-1,3-dihydroindol-2-one Openeye Name: 6-chloro-5-[2-[4-imino-2-methyl-2-(2-methylsulfanylphenyl)piperazin-4-ium-1-yl]ethyl]indolin-2-one CAS Name: 6-chloro-5-[2-[4-imino-2-methyl-2-[2-(methylthio)phenyl]-1-piperazin-4-iumyl]ethyl]-1,3-dihydroindol-2-one IUPAC Name: 6-chloro-5-[2-[4-imino-2-methyl-2-(2-methylsulfanylphenyl)piperazin-4-ium-1-yl]ethyl]-1,3-dihydroindol-2-one Traditional Name: 6-chloro-5-[2-[4-imino-2-methyl-2-[2-(methylthio)phenyl]piperazin-4-ium-1-yl]ethyl]oxindole Formula: C22H26ClN4OS+ MolecularWeight: 429.98604

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[N+](=N)CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=CC=CC=C4SC

Isomeric SMILES

CC1(C[N+](=N)CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=CC=CC=C4SC

InChI

InChI=1S/C22H25ClN4OS/c1-22(17-5-3-4-6-20(17)29-2)14-27(24)10-9-26(22)8-7-15-11-16-12-21(28)25-19(16)13-18(15)23/h3-6,11,13,24H,7-10,12,14H2,1-2H3/p+1