[(3S,4R)-3-(3,4-dimethoxyphenyl)-7-ethoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]azanium

Systemtic Name: [(3S,4R)-3-(3,4-dimethoxyphenyl)-7-ethoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]azanium Openeye Name: [(3S,4R)-3-(3,4-dimethoxyphenyl)-7-ethoxy-2,2-dimethyl-chroman-4-yl]ammonium CAS Name: [(3S,4R)-3-(3,4-dimethoxyphenyl)-7-ethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]ammonium IUPAC Name: [(3S,4R)-3-(3,4-dimethoxyphenyl)-7-ethoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]azanium Traditional Name: [(3S,4R)-3-(3,4-dimethoxyphenyl)-7-ethoxy-2,2-dimethyl-chroman-4-yl]ammonium Formula: C21H28NO4+ MolecularWeight: 358.45132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(C(C(O2)(C)C)C3=CC(=C(C=C3)OC)OC)[NH3+]

Isomeric SMILES

CCOC1=CC2=C(C=C1)[C@@H]([C@@H](C(O2)(C)C)C3=CC(=C(C=C3)OC)OC)[NH3+]

InChI

InChI=1S/C21H27NO4/c1-6-25-14-8-9-15-17(12-14)26-21(2,3)19(20(15)22)13-7-10-16(23-4)18(11-13)24-5/h7-12,19-20H,6,22H2,1-5H3/p+1/t19-,20-/m0/s1