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

Systemtic Name: methyl 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-[(4-phenylphenyl)methyl]piperidin-1-ium-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-[(4-phenylphenyl)methyl]piperidin-1-ium-3-yl]propanoate CAS Name: 3-[(3S,4R)-4-(4-morpholin-4-iumyl)-1-[(4-phenylphenyl)methyl]-3-piperidin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-[(4-phenylphenyl)methyl]piperidin-1-ium-3-yl]propanoate Traditional Name: 3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(4-phenylbenzyl)piperidin-1-ium-3-yl]propionic acid methyl ester Formula: C26H36N2O3+2 MolecularWeight: 424.57564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1C[NH+](CCC1[NH+]2CCOCC2)CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CC[C@H]1C[NH+](CC[C@H]1[NH+]2CCOCC2)CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H34N2O3/c1-30-26(29)12-11-24-20-27(14-13-25(24)28-15-17-31-18-16-28)19-21-7-9-23(10-8-21)22-5-3-2-4-6-22/h2-10,24-25H,11-20H2,1H3/p+2/t24-,25+/m0/s1