ethyl 3-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[N+]3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[N+]3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H23N3O3S/c1-4-28-22(27)21-18(14-19(29-21)16-8-6-5-7-9-16)23-20(26)15-25-12-10-17(11-13-25)24(2)3/h5-14H,4,15H2,1-3H3/p+1