N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-1-(2-furyl)ethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide CAS Name: N-[(1S)-1-(2-furanyl)ethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide IUPAC Name: N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide Traditional Name: N-[(1S)-1-(2-furyl)ethyl]-2-(4-mesyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C14H24N3O4S+ MolecularWeight: 330.42306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CO1)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C1=CC=CO1)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C14H23N3O4S/c1-12(13-5-3-10-21-13)15-14(18)11-16-6-4-7-17(9-8-16)22(2,19)20/h3,5,10,12H,4,6-9,11H2,1-2H3,(H,15,18)/p+1/t12-/m0/s1