2-(azepan-1-ium-1-yl)-N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]acetamide Formula: C20H31ClN3O3S+ MolecularWeight: 428.99644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

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