3-chloranyl-N-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propyl]-4-methoxy-benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propyl]-4-methoxy-benzenesulfonamide Openeye Name: 3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propyl]-4-methoxy-benzenesulfonamide CAS Name: 3-chloro-N-[3-[(2S)-2-ethyl-1-piperidin-1-iumyl]propyl]-4-methoxybenzenesulfonamide IUPAC Name: 3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propyl]-4-methoxybenzenesulfonamide Traditional Name: 3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propyl]-4-methoxy-benzenesulfonamide Formula: C17H28ClN2O3S+ MolecularWeight: 375.93382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CCCNS(=O)(=O)C2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CCCNS(=O)(=O)C2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C17H27ClN2O3S/c1-3-14-7-4-5-11-20(14)12-6-10-19-24(21,22)15-8-9-17(23-2)16(18)13-15/h8-9,13-14,19H,3-7,10-12H2,1-2H3/p+1/t14-/m0/s1