[4-(2-chlorophenyl)sulfanyl-3-nitro-phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [4-(2-chlorophenyl)sulfanyl-3-nitro-phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-(2-chlorophenyl)sulfanyl-3-nitro-phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [4-[(2-chlorophenyl)thio]-3-nitrophenyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-(2-chlorophenyl)sulfanyl-3-nitrophenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-[(2-chlorophenyl)thio]-3-nitro-phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C19H21ClN3O3S+ MolecularWeight: 406.90634

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O3S/c1-2-21-9-11-22(12-10-21)19(24)14-7-8-18(16(13-14)23(25)26)27-17-6-4-3-5-15(17)20/h3-8,13H,2,9-12H2,1H3/p+1