1-[(5-chloranylthiophen-2-yl)methyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)methyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium Openeye Name: 1-[(5-chloro-2-thienyl)methyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium CAS Name: 1-[(5-chloro-2-thiophenyl)methyl]-4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(5-chlorothiophen-2-yl)methyl]-4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-ium Traditional Name: 1-[(5-chloro-2-thienyl)methyl]-4-(4-mesyl-2-nitro-phenyl)piperazin-1-ium Formula: C16H19ClN3O4S2+ MolecularWeight: 416.92276

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN3O4S2/c1-26(23,24)13-3-4-14(15(10-13)20(21)22)19-8-6-18(7-9-19)11-12-2-5-16(17)25-12/h2-5,10H,6-9,11H2,1H3/p+1