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methyl-[3-[(4-methylsulfonyl-2-nitro-phenyl)amino]propyl]-(phenylmethyl)azanium
methyl-[3-[(4-methylsulfonyl-2-nitro-phenyl)amino]propyl]-(phenylmethyl)azanium
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Descriptors Computed from Structure
Canonical SMILES:
C[NH+](CCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])CC2=CC=CC=C2
Isomeric SMILES
C[NH+](CCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])CC2=CC=CC=C2
InChI
InChI=1S/C18H23N3O4S/c1-20(14-15-7-4-3-5-8-15)12-6-11-19-17-10-9-16(26(2,24)25)13-18(17)21(22)23/h3-5,7-10,13,19H,6,11-12,14H2,1-2H3/p+1
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