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

Systemtic Name: N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[4-chloro-3-(1-piperidylsulfonyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-chloro-3-piperidinosulfonyl-phenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Formula: C20H31ClN3O3S+ MolecularWeight: 428.99644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30ClN3O3S/c1-15-10-16(2)13-23(12-15)14-20(25)22-17-6-7-18(21)19(11-17)28(26,27)24-8-4-3-5-9-24/h6-7,11,15-16H,3-5,8-10,12-14H2,1-2H3,(H,22,25)/p+1/t15-,16-/m1/s1