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

Systemtic Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Openeye Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium IUPAC Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Traditional Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H25N3O4S/c1-15-7-8-20(16(2)13-15)28(26,27)22-11-9-21(10-12-22)17(3)18-5-4-6-19(14-18)23(24)25/h4-8,13-14,17H,9-12H2,1-3H3/p+1/t17-/m1/s1