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

Systemtic Name: methyl 3-[(3S,4R)-1-[(4-methoxyphenyl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-1-[(4-methoxyphenyl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propanoate CAS Name: 3-[(3S,4R)-1-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-iumyl)-3-piperidin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-1-[(4-methoxyphenyl)methyl]-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-yl]propanoate Traditional Name: 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-p-anisyl-piperidin-1-ium-3-yl]propionic acid methyl ester Formula: C21H34N2O4+2 MolecularWeight: 378.50566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCC(C(C2)CCC(=O)OC)[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CC[C@H]([C@H](C2)CCC(=O)OC)[NH+]3CCOCC3

InChI

InChI=1S/C21H32N2O4/c1-25-19-6-3-17(4-7-19)15-22-10-9-20(23-11-13-27-14-12-23)18(16-22)5-8-21(24)26-2/h3-4,6-7,18,20H,5,8-16H2,1-2H3/p+2/t18-,20+/m0/s1