(2S)-4-(1H-imidazol-3-ium-2-ylmethyl)-2-[(3-methoxyphenyl)methyl]morpholine

Systemtic Name: (2S)-4-(1H-imidazol-3-ium-2-ylmethyl)-2-[(3-methoxyphenyl)methyl]morpholine Openeye Name: (2S)-4-(1H-imidazol-3-ium-2-ylmethyl)-2-[(3-methoxyphenyl)methyl]morpholine CAS Name: (2S)-4-(1H-imidazol-3-ium-2-ylmethyl)-2-[(3-methoxyphenyl)methyl]morpholine IUPAC Name: (2S)-4-(1H-imidazol-3-ium-2-ylmethyl)-2-[(3-methoxyphenyl)methyl]morpholine Traditional Name: (2S)-4-(1H-imidazol-3-ium-2-ylmethyl)-2-m-anisyl-morpholine Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2CN(CCO2)CC3=[NH+]C=CN3

Isomeric SMILES

COC1=CC=CC(=C1)C[C@H]2CN(CCO2)CC3=[NH+]C=CN3

InChI

InChI=1S/C16H21N3O2/c1-20-14-4-2-3-13(9-14)10-15-11-19(7-8-21-15)12-16-17-5-6-18-16/h2-6,9,15H,7-8,10-12H2,1H3,(H,17,18)/p+1/t15-/m0/s1