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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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