4-[(1S)-6,7-dimethoxy-3-(4-methoxyphenyl)-1H-isochromen-1-yl]morpholin-4-ium

Systemtic Name: 4-[(1S)-6,7-dimethoxy-3-(4-methoxyphenyl)-1H-isochromen-1-yl]morpholin-4-ium Openeye Name: 4-[(1S)-6,7-dimethoxy-3-(4-methoxyphenyl)-1H-isochromen-1-yl]morpholin-4-ium CAS Name: 4-[(1S)-6,7-dimethoxy-3-(4-methoxyphenyl)-1H-2-benzopyran-1-yl]morpholin-4-ium IUPAC Name: 4-[(1S)-6,7-dimethoxy-3-(4-methoxyphenyl)-1H-isochromen-1-yl]morpholin-4-ium Traditional Name: 4-[(1S)-6,7-dimethoxy-3-(4-methoxyphenyl)-1H-isochromen-1-yl]morpholin-4-ium Formula: C22H26NO5+ MolecularWeight: 384.44554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=CC(=C(C=C3C(O2)[NH+]4CCOCC4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=CC(=C(C=C3[C@H](O2)[NH+]4CCOCC4)OC)OC

InChI

InChI=1S/C22H25NO5/c1-24-17-6-4-15(5-7-17)19-12-16-13-20(25-2)21(26-3)14-18(16)22(28-19)23-8-10-27-11-9-23/h4-7,12-14,22H,8-11H2,1-3H3/p+1/t22-/m0/s1