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

Systemtic Name: N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-propylpyridin-1-ium-1-yl)acetamide CAS Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-propyl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-propylpyridin-1-ium-1-yl)acetamide Traditional Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-propylpyridin-1-ium-1-yl)acetamide Formula: C25H27N2O2S+ MolecularWeight: 419.55908

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O2S/c1-2-8-18-13-15-27(16-14-18)17-22(28)26-25-23(20-11-6-7-12-21(20)30-25)24(29)19-9-4-3-5-10-19/h3-5,9-10,13-16H,2,6-8,11-12,17H2,1H3/p+1