2-(azepan-1-ium-1-yl)-N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C23H29N2O2S+ MolecularWeight: 397.55356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H28N2O2S/c26-20(16-25-14-8-1-2-9-15-25)24-23-21(18-12-6-7-13-19(18)28-23)22(27)17-10-4-3-5-11-17/h3-5,10-11H,1-2,6-9,12-16H2,(H,24,26)/p+1