(2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]morpholin-4-ium

Systemtic Name: (2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]morpholin-4-ium Openeye Name: (2S)-4-(2,3-dihydrobenzofuran-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]morpholin-4-ium CAS Name: (2S)-4-(2,3-dihydrobenzofuran-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]morpholin-4-ium IUPAC Name: (2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]morpholin-4-ium Traditional Name: (2S)-4-(coumaran-5-ylmethyl)-2-m-anisyl-morpholin-4-ium Formula: C21H26NO3+ MolecularWeight: 340.43604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2C[NH+](CCO2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

COC1=CC=CC(=C1)C[C@H]2C[NH+](CCO2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H25NO3/c1-23-19-4-2-3-16(12-19)13-20-15-22(8-10-24-20)14-17-5-6-21-18(11-17)7-9-25-21/h2-6,11-12,20H,7-10,13-15H2,1H3/p+1/t20-/m0/s1