3-butoxypropyl-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methyl]azanium

Systemtic Name: 3-butoxypropyl-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 3-butoxypropyl-[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 3-butoxypropyl-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 3-butoxypropyl-[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-benzyl]ammonium Formula: C21H30ClN2O3+ MolecularWeight: 393.9275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN2O3/c1-3-4-11-26-12-5-10-23-14-17-6-8-19(20(13-17)25-2)27-16-18-7-9-21(22)24-15-18/h6-9,13,15,23H,3-5,10-12,14,16H2,1-2H3/p+1