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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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