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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

InChI

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