[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]-(3-oxidanylpropyl)azanium perchlorate

Systemtic Name: [6-methyl-2-(4-methylphenyl)chromen-4-ylidene]-(3-oxidanylpropyl)azanium perchlorate Openeye Name: 3-hydroxypropyl-[6-methyl-2-(p-tolyl)chromen-4-ylidene]ammonium perchlorate CAS Name: 3-hydroxypropyl-[6-methyl-2-(4-methylphenyl)-1-benzopyran-4-ylidene]ammonium perchlorate IUPAC Name: 3-hydroxypropyl-[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]azanium perchlorate Traditional Name: 3-hydroxypropyl-[6-methyl-2-(p-tolyl)chromen-4-ylidene]ammonium perchlorate Formula: C20H22ClNO6 MolecularWeight: 407.84478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=[NH+]CCCO)C3=C(O2)C=CC(=C3)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=[NH+]CCCO)C3=C(O2)C=CC(=C3)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H21NO2.ClHO4/c1-14-4-7-16(8-5-14)20-13-18(21-10-3-11-22)17-12-15(2)6-9-19(17)23-20;2-1(3,4)5/h4-9,12-13,22H,3,10-11H2,1-2H3;(H,2,3,4,5)