1-[(5-chloranylthiophen-2-yl)methyl]-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)methyl]-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(5-chloro-2-thienyl)methyl]-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(5-chloro-2-thiophenyl)methyl]-4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(5-chlorothiophen-2-yl)methyl]-4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(5-chloro-2-thienyl)methyl]-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazin-1-ium Formula: C16H19ClN3O4S2+ MolecularWeight: 416.92276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)[N+](=O)[O-]

InChI

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