2-(2-azanylpyridin-1-ium-1-yl)-N-[3-(4-bromophenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide

Systemtic Name: 2-(2-azanylpyridin-1-ium-1-yl)-N-[3-(4-bromophenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: 2-(2-aminopyridin-1-ium-1-yl)-N-[3-(4-bromobenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: 2-(2-amino-1-pyridin-1-iumyl)-N-[3-[(4-bromophenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: 2-(2-aminopyridin-1-ium-1-yl)-N-[3-(4-bromobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: 2-(2-aminopyridin-1-ium-1-yl)-N-[3-(4-bromobenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C22H21BrN3O2S+ MolecularWeight: 471.39004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C[N+]3=CC=CC=C3N)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C[N+]3=CC=CC=C3N)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H20BrN3O2S/c23-15-10-8-14(9-11-15)21(28)20-16-5-1-2-6-17(16)29-22(20)25-19(27)13-26-12-4-3-7-18(26)24/h3-4,7-12,24H,1-2,5-6,13H2,(H,25,27,28)/p+1