4-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-2-(4-methoxyphenyl)chromen-6-ol perchlorate

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-2-(4-methoxyphenyl)chromen-6-ol perchlorate Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-2-(4-methoxyphenyl)chromen-6-ol perchlorate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-2-(4-methoxyphenyl)-1-benzopyran-6-ol perchlorate IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-2-(4-methoxyphenyl)chromen-6-ol perchlorate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)-2-(4-methoxyphenyl)chromen-6-ol perchlorate Formula: C25H22ClNO7 MolecularWeight: 483.89768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=[N+]3CCC4=CC=CC=C4C3)C5=C(O2)C=CC(=C5)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=[N+]3CCC4=CC=CC=C4C3)C5=C(O2)C=CC(=C5)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C25H21NO3.ClHO4/c1-28-21-9-6-18(7-10-21)25-15-23(22-14-20(27)8-11-24(22)29-25)26-13-12-17-4-2-3-5-19(17)16-26;2-1(3,4)5/h2-11,14-15H,12-13,16H2,1H3;(H,2,3,4,5)