[4-(3-chlorophenyl)sulfanyl-3-nitro-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [4-(3-chlorophenyl)sulfanyl-3-nitro-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-(3-chlorophenyl)sulfanyl-3-nitro-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [4-[(3-chlorophenyl)thio]-3-nitrophenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-(3-chlorophenyl)sulfanyl-3-nitrophenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-[(3-chlorophenyl)thio]-3-nitro-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(=C(C=C2)SC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

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