4,5-dimethyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4,5-dimethyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4,5-dimethyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol CAS Name: 4,5-dimethyl-2-[[4-(4-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4,5-dimethyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4,5-dimethyl-2-[(4-nosylpiperazin-1-ium-1-yl)methyl]phenol Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1C)O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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