N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-hydroxy-1-piperidin-1-iumyl)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)O

InChI

InChI=1S/C19H29N3O4S/c23-17-9-13-21(14-10-17)15-19(24)20-16-5-7-18(8-6-16)27(25,26)22-11-3-1-2-4-12-22/h5-8,17,23H,1-4,9-15H2,(H,20,24)/p+1