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

Systemtic Name: [3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-fluorophenyl)methyl]azanium Openeye Name: [3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl-[(4-fluorophenyl)methyl]ammonium CAS Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-fluorophenyl)methyl]azanium Traditional Name: [3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]-(4-fluorobenzyl)ammonium Formula: C20H20ClFNO2S+ MolecularWeight: 392.894703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClFNO2S/c1-24-19-10-15(12-23-11-14-4-6-16(22)7-5-14)9-18(21)20(19)25-13-17-3-2-8-26-17/h2-10,23H,11-13H2,1H3/p+1