1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)methyl]-4-(4-isopropylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-fluoro-4-methoxy-benzyl)-4-p-cumenylsulfonyl-piperazin-1-ium Formula: C21H28FN2O3S+ MolecularWeight: 407.522023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN2O3S/c1-16(2)18-5-7-19(8-6-18)28(25,26)24-12-10-23(11-13-24)15-17-4-9-21(27-3)20(22)14-17/h4-9,14,16H,10-13,15H2,1-3H3/p+1