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

Systemtic Name: [3-bromanyl-4-[(3,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: [3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-isopropoxypropyl)ammonium CAS Name: [3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: [3-bromo-4-(3,4-dichlorobenzyl)oxy-5-methoxy-benzyl]-(3-isopropoxypropyl)ammonium Formula: C21H27BrCl2NO3+ MolecularWeight: 492.25398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC(=C(C=C2)Cl)Cl)OC

Isomeric SMILES

CC(C)OCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC(=C(C=C2)Cl)Cl)OC

InChI

InChI=1S/C21H26BrCl2NO3/c1-14(2)27-8-4-7-25-12-16-9-17(22)21(20(11-16)26-3)28-13-15-5-6-18(23)19(24)10-15/h5-6,9-11,14,25H,4,7-8,12-13H2,1-3H3/p+1