N-[3-(4-methylphenyl)carbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-2-pyridin-1-ium-1-yl-ethanamide

Systemtic Name: N-[3-(4-methylphenyl)carbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-2-pyridin-1-ium-1-yl-ethanamide Openeye Name: N-[3-(4-methylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-2-pyridin-1-ium-1-yl-acetamide CAS Name: N-[3-[(4-methylphenyl)-oxomethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-2-(1-pyridin-1-iumyl)acetamide IUPAC Name: N-[3-(4-methylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-2-pyridin-1-ium-1-ylacetamide Traditional Name: N-(3-p-toluoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyridin-1-ium-1-yl-acetamide Formula: C24H25N2O2S+ MolecularWeight: 405.5325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCCC3)NC(=O)C[N+]4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCCC3)NC(=O)C[N+]4=CC=CC=C4

InChI

InChI=1S/C24H24N2O2S/c1-17-10-12-18(13-11-17)23(28)22-19-8-4-2-5-9-20(19)29-24(22)25-21(27)16-26-14-6-3-7-15-26/h3,6-7,10-15H,2,4-5,8-9,16H2,1H3/p+1