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

Systemtic Name: hexyl-[(3-methoxy-2-phenylmethoxy-phenyl)methyl]azanium Openeye Name: (2-benzyloxy-3-methoxy-phenyl)methyl-hexyl-ammonium CAS Name: hexyl-[(3-methoxy-2-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: hexyl-[(3-methoxy-2-phenylmethoxyphenyl)methyl]azanium Traditional Name: (2-benzoxy-3-methoxy-benzyl)-hexyl-ammonium Formula: C21H30NO2+ MolecularWeight: 328.4684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO2/c1-3-4-5-9-15-22-16-19-13-10-14-20(23-2)21(19)24-17-18-11-7-6-8-12-18/h6-8,10-14,22H,3-5,9,15-17H2,1-2H3/p+1