[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyl-(3-ethoxypropyl)azanium

Systemtic Name: [4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyl-(3-ethoxypropyl)azanium Openeye Name: [4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyl-(3-ethoxypropyl)ammonium CAS Name: [4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-(3-ethoxypropyl)ammonium IUPAC Name: [4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-(3-ethoxypropyl)azanium Traditional Name: [4-(2-chlorobenzyl)oxy-3-ethoxy-benzyl]-(3-ethoxypropyl)ammonium Formula: C21H29ClNO3+ MolecularWeight: 378.91286

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC[NH2+]CC1=CC(=C(C=C1)OCC2=CC=CC=C2Cl)OCC

Isomeric SMILES

CCOCCC[NH2+]CC1=CC(=C(C=C1)OCC2=CC=CC=C2Cl)OCC

InChI

InChI=1S/C21H28ClNO3/c1-3-24-13-7-12-23-15-17-10-11-20(21(14-17)25-4-2)26-16-18-8-5-6-9-19(18)22/h5-6,8-11,14,23H,3-4,7,12-13,15-16H2,1-2H3/p+1