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

Systemtic Name: 1-[(2-ethoxyphenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2-ethoxyphenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2-ethoxyphenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2-ethoxyphenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-ethoxybenzyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

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