3-butoxypropyl-[[5-chloranyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]azanium

Systemtic Name: 3-butoxypropyl-[[5-chloranyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: 3-butoxypropyl-[[5-chloro-2-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: 3-butoxypropyl-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: 3-butoxypropyl-[5-chloro-2-(4-methylbenzyl)oxy-benzyl]ammonium Formula: C22H31ClNO2+ MolecularWeight: 376.94004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClNO2/c1-3-4-13-25-14-5-12-24-16-20-15-21(23)10-11-22(20)26-17-19-8-6-18(2)7-9-19/h6-11,15,24H,3-5,12-14,16-17H2,1-2H3/p+1