1-(2-nitrophenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium

Systemtic Name: 1-(2-nitrophenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium Openeye Name: 1-(2-nitrophenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium CAS Name: 1-(2-nitrophenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium IUPAC Name: 1-(2-nitrophenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium Traditional Name: 1-(2-nitrophenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5S/c23-22(24)18-9-4-5-10-19(18)28(25,26)21-14-12-20(13-15-21)11-6-16-27-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2/p+1