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

Systemtic Name: methyl 3-[(3S,4R)-1-[(3-methoxyphenyl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-1-[(3-methoxyphenyl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propanoate CAS Name: 3-[(3S,4R)-1-[(3-methoxyphenyl)methyl]-4-(4-morpholin-4-iumyl)-3-piperidin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-1-[(3-methoxyphenyl)methyl]-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-yl]propanoate Traditional Name: 3-[(3S,4R)-1-m-anisyl-4-morpholin-4-ium-4-yl-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=CC(=C1)C[NH+]2CCC(C(C2)CCC(=O)OC)[NH+]3CCOCC3

Isomeric SMILES

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

InChI

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