1-[(3-nitrophenyl)methyl]-4-propylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-propylsulfonyl-piperazin-1-ium Openeye Name: 1-[(3-nitrophenyl)methyl]-4-propylsulfonyl-piperazin-1-ium CAS Name: 1-[(3-nitrophenyl)methyl]-4-propylsulfonylpiperazin-1-ium IUPAC Name: 1-[(3-nitrophenyl)methyl]-4-propylsulfonylpiperazin-1-ium Traditional Name: 1-(3-nitrobenzyl)-4-propylsulfonyl-piperazin-1-ium Formula: C14H22N3O4S+ MolecularWeight: 328.40718

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCS(=O)(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O4S/c1-2-10-22(20,21)16-8-6-15(7-9-16)12-13-4-3-5-14(11-13)17(18)19/h3-5,11H,2,6-10,12H2,1H3/p+1