2-(azocan-1-ium-1-yl)-N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H30ClN3O3S/c21-18-10-9-17(15-19(18)28(26,27)24-13-7-4-8-14-24)22-20(25)16-23-11-5-2-1-3-6-12-23/h9-10,15H,1-8,11-14,16H2,(H,22,25)/p+1