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

Systemtic Name: [2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-hexyl-azanium Openeye Name: [2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-hexyl-ammonium CAS Name: [2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-hexylammonium IUPAC Name: [2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-hexylazanium Traditional Name: [2-(4-chlorobenzyl)oxy-3-methoxy-benzyl]-hexyl-ammonium Formula: C21H29ClNO2+ MolecularWeight: 362.91346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClNO2/c1-3-4-5-6-14-23-15-18-8-7-9-20(24-2)21(18)25-16-17-10-12-19(22)13-11-17/h7-13,23H,3-6,14-16H2,1-2H3/p+1