3-butoxypropyl-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]azanium

Systemtic Name: 3-butoxypropyl-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]azanium Openeye Name: 3-butoxypropyl-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]ammonium CAS Name: 3-butoxypropyl-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]azanium Traditional Name: 3-butoxypropyl-[3-(4-chlorobenzyl)oxybenzyl]ammonium Formula: C21H29ClNO2+ MolecularWeight: 362.91346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClNO2/c1-2-3-13-24-14-5-12-23-16-19-6-4-7-21(15-19)25-17-18-8-10-20(22)11-9-18/h4,6-11,15,23H,2-3,5,12-14,16-17H2,1H3/p+1