[4-[2-(6-chloranyl-1-oxidanidyl-3H-indol-1-ium-5-yl)ethyl]piperazin-1-yl]-(2-methylsulfanylphenyl)methanimine

Systemtic Name: [4-[2-(6-chloranyl-1-oxidanidyl-3H-indol-1-ium-5-yl)ethyl]piperazin-1-yl]-(2-methylsulfanylphenyl)methanimine Openeye Name: [4-[2-(6-chloro-1-oxido-3H-indol-1-ium-5-yl)ethyl]piperazin-1-yl]-(2-methylsulfanylphenyl)methanimine CAS Name: [4-[2-(6-chloro-1-oxido-3H-indol-1-ium-5-yl)ethyl]-1-piperazinyl]-[2-(methylthio)phenyl]methanimine IUPAC Name: [4-[2-(6-chloro-1-oxido-3H-indol-1-ium-5-yl)ethyl]piperazin-1-yl]-(2-methylsulfanylphenyl)methanimine Traditional Name: [[4-[2-(6-chloro-1-oxido-3H-indol-1-ium-5-yl)ethyl]piperazino]-[2-(methylthio)phenyl]methylene]amine Formula: C22H25ClN4OS MolecularWeight: 428.9781

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=N)N2CCN(CC2)CCC3=C(C=C4C(=C3)CC=[N+]4[O-])Cl

Isomeric SMILES

CSC1=CC=CC=C1C(=N)N2CCN(CC2)CCC3=C(C=C4C(=C3)CC=[N+]4[O-])Cl

InChI

InChI=1S/C22H25ClN4OS/c1-29-21-5-3-2-4-18(21)22(24)26-12-10-25(11-13-26)8-6-16-14-17-7-9-27(28)20(17)15-19(16)23/h2-5,9,14-15,24H,6-8,10-13H2,1H3