ethyl 2-[[(2S)-2-(2,3-dimethylpyridin-1-ium-1-yl)propanoyl]amino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2S)-2-(2,3-dimethylpyridin-1-ium-1-yl)propanoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(2S)-2-(2,3-dimethylpyridin-1-ium-1-yl)propanoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2S)-2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-(2,3-dimethylpyridin-1-ium-1-yl)propanoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-(2,3-dimethylpyridin-1-ium-1-yl)propanoyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H25N2O3S+ MolecularWeight: 409.5212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)[N+]3=CC=CC(=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)[C@H](C)[N+]3=CC=CC(=C3C)C

InChI

InChI=1S/C23H24N2O3S/c1-5-28-23(27)19-14-20(18-11-7-6-8-12-18)29-22(19)24-21(26)17(4)25-13-9-10-15(2)16(25)3/h6-14,17H,5H2,1-4H3/p+1/t17-/m0/s1