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

Systemtic Name: 3-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-benzyl]ammonio]propyl-diethyl-ammonium Formula: C21H32ClN3O2+2 MolecularWeight: 393.95068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30ClN3O2/c1-4-25(5-2)12-6-11-23-14-17-7-9-19(20(13-17)26-3)27-16-18-8-10-21(22)24-15-18/h7-10,13,15,23H,4-6,11-12,14,16H2,1-3H3/p+2