1-(5-chloranylthiophen-2-yl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H18ClN3O4S2/c1-12(13-3-2-4-14(11-13)20(21)22)18-7-9-19(10-8-18)26(23,24)16-6-5-15(17)25-16/h2-6,11-12H,7-10H2,1H3/p+1/t12-/m1/s1