2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[3-methyl-4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methyl-4-pyrrolidino-phenyl)acetamide Formula: C23H30FN4O3S+ MolecularWeight: 461.572703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)N4CCCC4

InChI

InChI=1S/C23H29FN4O3S/c1-18-16-20(6-9-22(18)27-10-2-3-11-27)25-23(29)17-26-12-14-28(15-13-26)32(30,31)21-7-4-19(24)5-8-21/h4-9,16H,2-3,10-15,17H2,1H3,(H,25,29)/p+1