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

Systemtic Name: 1-(3-nitrophenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium Openeye Name: 1-(3-nitrophenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium CAS Name: 1-(3-nitrophenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium IUPAC Name: 1-(3-nitrophenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium Traditional Name: 1-(3-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)17-6-4-9-19(16-17)28(25,26)21-13-11-20(12-14-21)10-5-15-27-18-7-2-1-3-8-18/h1-4,6-9,16H,5,10-15H2/p+1