1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium

Systemtic Name: 1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium Openeye Name: 1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium CAS Name: 1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-ium Traditional Name: 1-(2-chlorobenzyl)-4-(4-mesyl-2-nitro-phenyl)piperazin-1-ium Formula: C18H21ClN3O4S+ MolecularWeight: 410.89504

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

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