methyl 3-[(3S,4R)-1-(2,2-diphenylethyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propanoate

Systemtic Name: methyl 3-[(3S,4R)-1-(2,2-diphenylethyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-1-(2,2-diphenylethyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propanoate CAS Name: 3-[(3S,4R)-1-(2,2-diphenylethyl)-4-(4-morpholin-4-iumyl)-3-piperidin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-1-(2,2-diphenylethyl)-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-yl]propanoate Traditional Name: 3-[(3S,4R)-1-(2,2-diphenylethyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-yl]propionic acid methyl ester Formula: C27H38N2O3+2 MolecularWeight: 438.60222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1C[NH+](CCC1[NH+]2CCOCC2)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CC[C@H]1C[NH+](CC[C@H]1[NH+]2CCOCC2)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H36N2O3/c1-31-27(30)13-12-24-20-28(15-14-26(24)29-16-18-32-19-17-29)21-25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,24-26H,12-21H2,1H3/p+2/t24-,26+/m0/s1