N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]phenyl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]phenyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylphenyl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCC3)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCC3)C

InChI

InChI=1S/C19H29N3O3S/c1-15-11-16(2)13-22(12-15)26(24,25)18-7-5-17(6-8-18)20-19(23)14-21-9-3-4-10-21/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,20,23)/p+1/t15-,16-/m1/s1