ethyl (2S)-2,3-bis[4-(dimethylamino)pyridin-1-ium-1-yl]propanoate

Systemtic Name: ethyl (2S)-2,3-bis[4-(dimethylamino)pyridin-1-ium-1-yl]propanoate Openeye Name: ethyl (2S)-2,3-bis[4-(dimethylamino)pyridin-1-ium-1-yl]propanoate CAS Name: (2S)-2,3-bis[4-(dimethylamino)-1-pyridin-1-iumyl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2,3-bis[4-(dimethylamino)pyridin-1-ium-1-yl]propanoate Traditional Name: (2S)-2,3-bis[4-(dimethylamino)pyridin-1-ium-1-yl]propionic acid ethyl ester Formula: C19H28N4O2+2 MolecularWeight: 344.45122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[N+]1=CC=C(C=C1)N(C)C)[N+]2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCOC(=O)[C@H](C[N+]1=CC=C(C=C1)N(C)C)[N+]2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C19H28N4O2/c1-6-25-19(24)18(23-13-9-17(10-14-23)21(4)5)15-22-11-7-16(8-12-22)20(2)3/h7-14,18H,6,15H2,1-5H3/q+2/t18-/m0/s1