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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[N+]3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[N+]3=CC=C(C=C3)N(C)C

InChI

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