(2R)-1-(azepan-1-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2R)-1-(azepan-1-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(azepan-1-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one CAS Name: (2R)-1-(1-azepanyl)-2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-(azepan-1-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Traditional Name: (2R)-1-(azepan-1-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Formula: C19H29FN3O3S+ MolecularWeight: 398.515263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H28FN3O3S/c1-16(19(24)22-10-4-2-3-5-11-22)21-12-14-23(15-13-21)27(25,26)18-8-6-17(20)7-9-18/h6-9,16H,2-5,10-15H2,1H3/p+1/t16-/m1/s1