ethyl 2-[2-[5-methoxy-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-pyridin-1-yl]ethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[5-methoxy-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-pyridin-1-yl]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[5-methoxy-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1-pyridyl]acetyl]amino]acetate CAS Name: 2-[[2-[5-methoxy-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-pyridinyl]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[5-methoxy-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxopyridin-1-yl]acetyl]amino]acetate Traditional Name: 2-[[2-[4-keto-5-methoxy-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-pyridyl]acetyl]amino]acetic acid ethyl ester Formula: C19H30N3O5+ MolecularWeight: 380.4586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CN1C=C(C(=O)C=C1C[NH+]2CCC(CC2)C)OC

Isomeric SMILES

CCOC(=O)CNC(=O)CN1C=C(C(=O)C=C1C[NH+]2CCC(CC2)C)OC

InChI

InChI=1S/C19H29N3O5/c1-4-27-19(25)10-20-18(24)13-22-12-17(26-3)16(23)9-15(22)11-21-7-5-14(2)6-8-21/h9,12,14H,4-8,10-11,13H2,1-3H3,(H,20,24)/p+1