methyl 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-[(4-oxidanylidenechromen-3-yl)methyl]piperidin-1-ium-3-yl]propanoate

Systemtic Name: methyl 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-[(4-oxidanylidenechromen-3-yl)methyl]piperidin-1-ium-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-[(4-oxochromen-3-yl)methyl]piperidin-1-ium-3-yl]propanoate CAS Name: 3-[(3S,4R)-4-(4-morpholin-4-iumyl)-1-[(4-oxo-1-benzopyran-3-yl)methyl]-3-piperidin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-[(4-oxochromen-3-yl)methyl]piperidin-1-ium-3-yl]propanoate Traditional Name: 3-[(3S,4R)-1-[(4-ketochromen-3-yl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propionic acid methyl ester Formula: C23H32N2O5+2 MolecularWeight: 416.51058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1C[NH+](CCC1[NH+]2CCOCC2)CC3=COC4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)CC[C@H]1C[NH+](CC[C@H]1[NH+]2CCOCC2)CC3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H30N2O5/c1-28-22(26)7-6-17-14-24(9-8-20(17)25-10-12-29-13-11-25)15-18-16-30-21-5-3-2-4-19(21)23(18)27/h2-5,16-17,20H,6-15H2,1H3/p+2/t17-,20+/m0/s1