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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylphenyl]acetamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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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+]3CCCCCC3)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCCCC3)C

InChI

InChI=1S/C21H33N3O3S/c1-17-13-18(2)15-24(14-17)28(26,27)20-9-7-19(8-10-20)22-21(25)16-23-11-5-3-4-6-12-23/h7-10,17-18H,3-6,11-16H2,1-2H3,(H,22,25)/p+1/t17-,18-/m1/s1