[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(3-propan-2-yloxypropyl)azanium

Systemtic Name: [3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(3-isopropoxypropyl)ammonium CAS Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: [3-bromo-4-(2,4-dichlorobenzyl)oxy-5-ethoxy-benzyl]-(3-isopropoxypropyl)ammonium Formula: C22H29BrCl2NO3+ MolecularWeight: 506.28056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrCl2NO3/c1-4-27-21-11-16(13-26-8-5-9-28-15(2)3)10-19(23)22(21)29-14-17-6-7-18(24)12-20(17)25/h6-7,10-12,15,26H,4-5,8-9,13-14H2,1-3H3/p+1