2-(azepan-1-ium-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(3-piperidinosulfonylphenyl)acetamide Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S/c23-19(16-21-11-4-1-2-5-12-21)20-17-9-8-10-18(15-17)26(24,25)22-13-6-3-7-14-22/h8-10,15H,1-7,11-14,16H2,(H,20,23)/p+1