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

Systemtic Name: 1-[(2-methoxyphenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2-methoxyphenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2-methoxyphenyl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2-methoxyphenyl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-o-anisyl-piperazin-4-ium Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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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)CC3=CC=CC=C3OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3OC

InChI

InChI=1S/C19H23N3O5S/c1-15-7-8-17(22(23)24)13-19(15)28(25,26)21-11-9-20(10-12-21)14-16-5-3-4-6-18(16)27-2/h3-8,13H,9-12,14H2,1-2H3/p+1