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

Systemtic Name: 2-(2-azanylpyridin-1-ium-1-yl)-N-[3-(4-methylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: 2-(2-aminopyridin-1-ium-1-yl)-N-[3-(4-methylbenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: 2-(2-amino-1-pyridin-1-iumyl)-N-[3-[(4-methylphenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: 2-(2-aminopyridin-1-ium-1-yl)-N-[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: 2-(2-aminopyridin-1-ium-1-yl)-N-(3-p-toluoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C23H24N3O2S+ MolecularWeight: 406.52056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)C[N+]4=CC=CC=C4N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)C[N+]4=CC=CC=C4N

InChI

InChI=1S/C23H23N3O2S/c1-15-9-11-16(12-10-15)22(28)21-17-6-2-3-7-18(17)29-23(21)25-20(27)14-26-13-5-4-8-19(26)24/h4-5,8-13,24H,2-3,6-7,14H2,1H3,(H,25,27,28)/p+1