3-(dimethylamino)propyl-[2-(4-methoxyphenyl)-6-oxidanyl-chromen-4-ylidene]azanium perchlorate

Systemtic Name: 3-(dimethylamino)propyl-[2-(4-methoxyphenyl)-6-oxidanyl-chromen-4-ylidene]azanium perchlorate Openeye Name: 3-(dimethylamino)propyl-[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]ammonium perchlorate CAS Name: 3-(dimethylamino)propyl-[6-hydroxy-2-(4-methoxyphenyl)-1-benzopyran-4-ylidene]ammonium perchlorate IUPAC Name: 3-(dimethylamino)propyl-[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]azanium perchlorate Traditional Name: 3-(dimethylamino)propyl-[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]ammonium perchlorate Formula: C21H25ClN2O7 MolecularWeight: 452.8854

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC[NH+]=C1C=C(OC2=C1C=C(C=C2)O)C3=CC=C(C=C3)OC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CN(C)CCC[NH+]=C1C=C(OC2=C1C=C(C=C2)O)C3=CC=C(C=C3)OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H24N2O3.ClHO4/c1-23(2)12-4-11-22-19-14-21(15-5-8-17(25-3)9-6-15)26-20-10-7-16(24)13-18(19)20;2-1(3,4)5/h5-10,13-14,24H,4,11-12H2,1-3H3;(H,2,3,4,5)