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

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3-methoxyphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-m-anisyl-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C18H22N3O5S+ MolecularWeight: 392.44938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-26-16-6-4-5-15(13-16)14-19-9-11-20(12-10-19)27(24,25)18-8-3-2-7-17(18)21(22)23/h2-8,13H,9-12,14H2,1H3/p+1