1-[(3-fluorophenyl)methyl]-4-(4-propylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-(4-propylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3-fluorophenyl)methyl]-4-(4-propylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3-fluorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-fluorobenzyl)-4-(4-propylphenyl)sulfonyl-piperazin-1-ium Formula: C20H26FN2O2S+ MolecularWeight: 377.496043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H25FN2O2S/c1-2-4-17-7-9-20(10-8-17)26(24,25)23-13-11-22(12-14-23)16-18-5-3-6-19(21)15-18/h3,5-10,15H,2,4,11-14,16H2,1H3/p+1