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

Systemtic Name: 1-[(1S)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1H-isochromen-1-yl]piperidin-1-ium Openeye Name: 1-[(1S)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1H-isochromen-1-yl]piperidin-1-ium CAS Name: 1-[(1S)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1H-2-benzopyran-1-yl]piperidin-1-ium IUPAC Name: 1-[(1S)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1H-isochromen-1-yl]piperidin-1-ium Traditional Name: 1-[(1S)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1H-isochromen-1-yl]piperidin-1-ium Formula: C24H30NO5+ MolecularWeight: 412.4987

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=CC(=C(C=C3C(O2)[NH+]4CCCCC4)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=CC(=C(C=C3[C@H](O2)[NH+]4CCCCC4)OC)OC)OC

InChI

InChI=1S/C24H29NO5/c1-26-19-9-8-16(12-21(19)27-2)20-13-17-14-22(28-3)23(29-4)15-18(17)24(30-20)25-10-6-5-7-11-25/h8-9,12-15,24H,5-7,10-11H2,1-4H3/p+1/t24-/m0/s1