1-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]sulfonylazepane

Systemtic Name: 1-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]sulfonylazepane Openeye Name: 1-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]sulfonylazepane CAS Name: 1-[[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]sulfonyl]azepane IUPAC Name: 1-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]sulfonylazepane Traditional Name: 1-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]sulfonylazepane Formula: C17H28N3O2S+ MolecularWeight: 338.48812

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H27N3O2S/c1-18-13-14-20(17(15-18)16-9-5-4-6-10-16)23(21,22)19-11-7-2-3-8-12-19/h4-6,9-10,17H,2-3,7-8,11-15H2,1H3/p+1/t17-/m1/s1