[3-chloranyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-propan-2-yloxypropyl)azanium

Systemtic Name: [3-chloranyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: [3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-isopropoxypropyl)ammonium CAS Name: [3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: [3-chloro-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]-(3-isopropoxypropyl)ammonium Formula: C22H30ClFNO3+ MolecularWeight: 410.929903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCCOC(C)C)Cl)OCC2=CC=C(C=C2)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCCOC(C)C)Cl)OCC2=CC=C(C=C2)F

InChI

InChI=1S/C22H29ClFNO3/c1-4-26-21-13-18(14-25-10-5-11-27-16(2)3)12-20(23)22(21)28-15-17-6-8-19(24)9-7-17/h6-9,12-13,16,25H,4-5,10-11,14-15H2,1-3H3/p+1