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

Systemtic Name: ethyl 2-[[(2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]propanoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]propanoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2S)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]propanoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]propanoyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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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=C(C=C3)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S/c1-5-29-23(28)19-15-20(17-9-7-6-8-10-17)30-22(19)24-21(27)16(2)26-13-11-18(12-14-26)25(3)4/h6-16H,5H2,1-4H3/p+1/t16-/m0/s1