1-(2-nitrophenyl)sulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-nitrophenyl)sulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2-nitrophenyl)sulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(2-nitrophenyl)sulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-nitrophenyl)sulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-nitrophenyl)sulfonyl-4-(2,4,5-trimethoxybenzyl)piperazin-4-ium Formula: C20H26N3O7S+ MolecularWeight: 452.50134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H25N3O7S/c1-28-17-13-19(30-3)18(29-2)12-15(17)14-21-8-10-22(11-9-21)31(26,27)20-7-5-4-6-16(20)23(24)25/h4-7,12-13H,8-11,14H2,1-3H3/p+1