1-[(1R)-1-(3-nitrophenyl)ethyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C16H20N3O4S2+ MolecularWeight: 382.4777

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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=CS3

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H19N3O4S2/c1-13(14-4-2-5-15(12-14)19(20)21)17-7-9-18(10-8-17)25(22,23)16-6-3-11-24-16/h2-6,11-13H,7-10H2,1H3/p+1/t13-/m1/s1