1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(3-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(3-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C18H21ClN3O4S+ MolecularWeight: 410.89504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1Cl)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O4S/c1-14(17-7-2-3-8-18(17)19)20-9-11-21(12-10-20)27(25,26)16-6-4-5-15(13-16)22(23)24/h2-8,13-14H,9-12H2,1H3/p+1/t14-/m1/s1