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

Systemtic Name: [4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-hexyl-azanium Openeye Name: [4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-hexyl-ammonium CAS Name: [4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-hexylammonium IUPAC Name: [4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-hexylazanium Traditional Name: [4-(3-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=CC(=C(C=C1)OCC2=CC(=CC=C2)Cl)OC

Isomeric SMILES

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

InChI

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