[2-(2-chloranyl-6-nitro-phenyl)sulfanylphenyl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [2-(2-chloranyl-6-nitro-phenyl)sulfanylphenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [2-(2-chloro-6-nitro-phenyl)sulfanylphenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [2-[(2-chloro-6-nitrophenyl)thio]phenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-(2-chloro-6-nitrophenyl)sulfanylphenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-[(2-chloro-6-nitro-phenyl)thio]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C18H19ClN3O3S+ MolecularWeight: 392.87976

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2SC3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2SC3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O3S/c1-20-9-11-21(12-10-20)18(23)13-5-2-3-8-16(13)26-17-14(19)6-4-7-15(17)22(24)25/h2-8H,9-12H2,1H3/p+1