1-[2-(4-methoxyphenyl)ethyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[2-(4-methoxyphenyl)ethyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[2-(4-methoxyphenyl)ethyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[2-(4-methoxyphenyl)ethyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[2-(4-methoxyphenyl)ethyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[2-(4-methoxyphenyl)ethyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium Formula: C20H26N3O5S+ MolecularWeight: 420.50254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H25N3O5S/c1-16-3-6-18(23(24)25)15-20(16)29(26,27)22-13-11-21(12-14-22)10-9-17-4-7-19(28-2)8-5-17/h3-8,15H,9-14H2,1-2H3/p+1