ethyl 3-[1-(cyclopropylmethyl)-4-[2-(2-ethoxy-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]pyridin-1-ium-3-yl]propanoate

Systemtic Name: ethyl 3-[1-(cyclopropylmethyl)-4-[2-(2-ethoxy-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]pyridin-1-ium-3-yl]propanoate Openeye Name: ethyl 3-[1-(cyclopropylmethyl)-4-[2-(2-ethoxy-2-oxo-ethoxy)-3-methoxy-phenyl]pyridin-1-ium-3-yl]propanoate CAS Name: 3-[1-(cyclopropylmethyl)-4-[2-(2-ethoxy-2-oxoethoxy)-3-methoxyphenyl]-3-pyridin-1-iumyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-(cyclopropylmethyl)-4-[2-(2-ethoxy-2-oxoethoxy)-3-methoxyphenyl]pyridin-1-ium-3-yl]propanoate Traditional Name: 3-[1-(cyclopropylmethyl)-4-[2-(2-ethoxy-2-keto-ethoxy)-3-methoxy-phenyl]pyridin-1-ium-3-yl]propionic acid ethyl ester Formula: C25H32NO6+ MolecularWeight: 442.52468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C=C[N+](=C1)CC2CC2)C3=C(C(=CC=C3)OC)OCC(=O)OCC

Isomeric SMILES

CCOC(=O)CCC1=C(C=C[N+](=C1)CC2CC2)C3=C(C(=CC=C3)OC)OCC(=O)OCC

InChI

InChI=1S/C25H32NO6/c1-4-30-23(27)12-11-19-16-26(15-18-9-10-18)14-13-20(19)21-7-6-8-22(29-3)25(21)32-17-24(28)31-5-2/h6-8,13-14,16,18H,4-5,9-12,15,17H2,1-3H3/q+1