N-(2,3-dihydro-1-benzothiophen-2-yl)-4-(2-thia-5-azoniabicyclo[2.2.1]heptan-5-yl)butanamide

Systemtic Name: N-(2,3-dihydro-1-benzothiophen-2-yl)-4-(2-thia-5-azoniabicyclo[2.2.1]heptan-5-yl)butanamide Openeye Name: N-(2,3-dihydrobenzothiophen-2-yl)-4-(2-thia-5-azoniabicyclo[2.2.1]heptan-5-yl)butanamide CAS Name: N-(2,3-dihydro-1-benzothiophen-2-yl)-4-(2-thia-5-azoniabicyclo[2.2.1]heptan-5-yl)butanamide IUPAC Name: N-(2,3-dihydro-1-benzothiophen-2-yl)-4-(2-thia-5-azoniabicyclo[2.2.1]heptan-5-yl)butanamide Traditional Name: N-(2,3-dihydrobenzothiophen-2-yl)-4-(2-thia-5-azoniabicyclo[2.2.1]heptan-5-yl)butyramide Formula: C17H23N2OS2+ MolecularWeight: 335.50732

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C[NH+](C1CS2)CCCC(=O)NC3CC4=CC=CC=C4S3

Isomeric SMILES

C1C2C[NH+](C1CS2)CCCC(=O)NC3CC4=CC=CC=C4S3

InChI

InChI=1S/C17H22N2OS2/c20-16(6-3-7-19-10-14-9-13(19)11-21-14)18-17-8-12-4-1-2-5-15(12)22-17/h1-2,4-5,13-14,17H,3,6-11H2,(H,18,20)/p+1