[(1S)-1-[3-(4-propylpiperazin-4-ium-1-yl)sulfonylphenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[3-(4-propylpiperazin-4-ium-1-yl)sulfonylphenyl]ethyl]azanium Openeye Name: [(1S)-1-[3-(4-propylpiperazin-4-ium-1-yl)sulfonylphenyl]ethyl]ammonium CAS Name: [(1S)-1-[3-[(4-propyl-1-piperazin-4-iumyl)sulfonyl]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[3-(4-propylpiperazin-4-ium-1-yl)sulfonylphenyl]ethyl]azanium Traditional Name: [(1S)-1-[3-(4-propylpiperazin-4-ium-1-yl)sulfonylphenyl]ethyl]ammonium Formula: C15H27N3O2S+2 MolecularWeight: 313.45878

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(C)[NH3+]

Isomeric SMILES

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[C@H](C)[NH3+]

InChI

InChI=1S/C15H25N3O2S/c1-3-7-17-8-10-18(11-9-17)21(19,20)15-6-4-5-14(12-15)13(2)16/h4-6,12-13H,3,7-11,16H2,1-2H3/p+2/t13-/m0/s1