3-(azepan-1-ium-1-yl)-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]propanamide

Systemtic Name: 3-(azepan-1-ium-1-yl)-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]propanamide Openeye Name: 3-(azepan-1-ium-1-yl)-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]propanamide CAS Name: 3-(1-azepan-1-iumyl)-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]propanamide IUPAC Name: 3-(azepan-1-ium-1-yl)-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]propanamide Traditional Name: 3-(azepan-1-ium-1-yl)-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]propionamide Formula: C19H28N3OS+ MolecularWeight: 346.51012

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CC[NH+]3CCCCCC3

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CC[NH+]3CCCCCC3

InChI

InChI=1S/C19H27N3OS/c1-14-6-7-15-16(13-20)19(24-17(15)12-14)21-18(23)8-11-22-9-4-2-3-5-10-22/h14H,2-12H2,1H3,(H,21,23)/p+1/t14-/m1/s1