3-[6-chloranyl-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]azaniumylpropyl-dimethyl-azanium

Systemtic Name: 3-[6-chloranyl-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]azaniumylpropyl-dimethyl-azanium Openeye Name: 3-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]ammoniopropyl-dimethyl-ammonium CAS Name: 3-[[6-chloro-2-(3,4-dimethoxyphenyl)-1-benzopyran-4-ylidene]ammonio]propyl-dimethylammonium IUPAC Name: 3-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]azaniumylpropyl-dimethylazanium Traditional Name: 3-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]ammoniopropyl-dimethyl-ammonium Formula: C22H27ClN2O3+2 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O3/c1-25(2)11-5-10-24-18-14-21(28-19-9-7-16(23)13-17(18)19)15-6-8-20(26-3)22(12-15)27-4/h6-9,12-14H,5,10-11H2,1-4H3/p+2