1-(2-nitrophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-nitrophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2-nitrophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(2-nitrophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-nitrophenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-nitrophenyl)sulfonyl-4-(2,3,4-trimethoxybenzyl)piperazin-4-ium Formula: C20H26N3O7S+ MolecularWeight: 452.50134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC)OC

InChI

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