1-[3-(3-methylphenoxy)propyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[3-(3-methylphenoxy)propyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[3-(3-methylphenoxy)propyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[3-(3-methylphenoxy)propyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[3-(3-methylphenoxy)propyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[3-(3-methylphenoxy)propyl]-4-nosyl-piperazin-1-ium Formula: C20H26N3O5S+ MolecularWeight: 420.50254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-17-4-2-5-19(16-17)28-15-3-10-21-11-13-22(14-12-21)29(26,27)20-8-6-18(7-9-20)23(24)25/h2,4-9,16H,3,10-15H2,1H3/p+1