[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: [3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: [3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: [3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]-p-anisyl-ammonium Formula: C21H23ClNO3S+ MolecularWeight: 404.93022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH2+]CC2=CC(=C(C(=C2)Cl)OCC3=CC=CS3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH2+]CC2=CC(=C(C(=C2)Cl)OCC3=CC=CS3)OC

InChI

InChI=1S/C21H22ClNO3S/c1-24-17-7-5-15(6-8-17)12-23-13-16-10-19(22)21(20(11-16)25-2)26-14-18-4-3-9-27-18/h3-11,23H,12-14H2,1-2H3/p+1