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

Systemtic Name: 1-[(4-nitrophenyl)methyl]-4-propylsulfonyl-piperazin-1-ium Openeye Name: 1-[(4-nitrophenyl)methyl]-4-propylsulfonyl-piperazin-1-ium CAS Name: 1-[(4-nitrophenyl)methyl]-4-propylsulfonylpiperazin-1-ium IUPAC Name: 1-[(4-nitrophenyl)methyl]-4-propylsulfonylpiperazin-1-ium Traditional Name: 1-(4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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