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

Systemtic Name: methyl 3-[(3S,4R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-morpholin-4-yl-piperidin-1-ium-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-morpholino-piperidin-1-ium-3-yl]propanoate CAS Name: 3-[(3S,4R)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(4-morpholinyl)-3-piperidin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-1-[(4-methoxy-3-methylphenyl)methyl]-4-morpholin-4-ylpiperidin-1-ium-3-yl]propanoate Traditional Name: 3-[(3S,4R)-1-(4-methoxy-3-methyl-benzyl)-4-morpholino-piperidin-1-ium-3-yl]propionic acid methyl ester Formula: C22H35N2O4+ MolecularWeight: 391.5243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCC(C(C2)CCC(=O)OC)N3CCOCC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CC[C@H]([C@H](C2)CCC(=O)OC)N3CCOCC3)OC

InChI

InChI=1S/C22H34N2O4/c1-17-14-18(4-6-21(17)26-2)15-23-9-8-20(24-10-12-28-13-11-24)19(16-23)5-7-22(25)27-3/h4,6,14,19-20H,5,7-13,15-16H2,1-3H3/p+1/t19-,20+/m0/s1