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

Systemtic Name: 1-ethyl-1-[(3-nitrophenyl)methyl]-4-nonylsulfonyl-piperazin-1-ium Openeye Name: 1-ethyl-1-[(3-nitrophenyl)methyl]-4-nonylsulfonyl-piperazin-1-ium CAS Name: 1-ethyl-1-[(3-nitrophenyl)methyl]-4-nonylsulfonylpiperazin-1-ium IUPAC Name: 1-ethyl-1-[(3-nitrophenyl)methyl]-4-nonylsulfonylpiperazin-1-ium Traditional Name: 1-ethyl-1-(3-nitrobenzyl)-4-nonylsulfonyl-piperazin-1-ium Formula: C22H38N3O4S+ MolecularWeight: 440.61982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38N3O4S/c1-3-5-6-7-8-9-10-18-30(28,29)23-14-16-25(4-2,17-15-23)20-21-12-11-13-22(19-21)24(26)27/h11-13,19H,3-10,14-18,20H2,1-2H3/q+1