3-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-benzyl]ammonio]propyl-dimethyl-ammonium Formula: C19H28ClN3O2+2 MolecularWeight: 365.89752

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]CC1=CC(=C(C=C1)OCC2=CN=C(C=C2)Cl)OC

Isomeric SMILES

C[NH+](C)CCC[NH2+]CC1=CC(=C(C=C1)OCC2=CN=C(C=C2)Cl)OC

InChI

InChI=1S/C19H26ClN3O2/c1-23(2)10-4-9-21-12-15-5-7-17(18(11-15)24-3)25-14-16-6-8-19(20)22-13-16/h5-8,11,13,21H,4,9-10,12,14H2,1-3H3/p+2