1-[(5-methylfuran-2-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(5-methylfuran-2-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(5-methyl-2-furyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(5-methyl-2-furanyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(5-methylfuran-2-yl)methyl]-4-(3-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(5-methyl-2-furyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C16H20N3O5S+ MolecularWeight: 366.4121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5S/c1-13-5-6-15(24-13)12-17-7-9-18(10-8-17)25(22,23)16-4-2-3-14(11-16)19(20)21/h2-6,11H,7-10,12H2,1H3/p+1