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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(2-chloro-5-piperidinosulfonyl-phenyl)acetamide Formula: C19H29ClN3O3S+ MolecularWeight: 414.96986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C19H28ClN3O3S/c20-17-9-8-16(27(25,26)23-12-6-3-7-13-23)14-18(17)21-19(24)15-22-10-4-1-2-5-11-22/h8-9,14H,1-7,10-13,15H2,(H,21,24)/p+1