1-(4-ethoxyphenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-nitrobenzyl)-4-p-phenetylsulfonyl-piperazin-1-ium Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

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