2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(3R,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-methoxy-3-piperidinosulfonyl-phenyl)acetamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

C[C@@H]1C[C@@H](C[NH+](C1)CC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C21H33N3O4S/c1-16-11-17(2)14-23(13-16)15-21(25)22-18-7-8-19(28-3)20(12-18)29(26,27)24-9-5-4-6-10-24/h7-8,12,16-17H,4-6,9-11,13-15H2,1-3H3,(H,22,25)/p+1/t16-,17+