2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methyl-1-piperidyl]ethanone CAS Name: 2-[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-[(2S)-2-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Traditional Name: 2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidino]ethanone Formula: C18H26BrClN3O3S+ MolecularWeight: 479.83934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C18H25BrClN3O3S/c1-14-4-2-3-7-23(14)18(24)13-21-8-10-22(11-9-21)27(25,26)17-6-5-15(19)12-16(17)20/h5-6,12,14H,2-4,7-11,13H2,1H3/p+1/t14-/m0/s1