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

Systemtic Name: hexyl-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: (4-benzyloxy-3-methoxy-phenyl)methyl-hexyl-ammonium CAS Name: hexyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: hexyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxy-3-methoxy-benzyl)-hexyl-ammonium Formula: C21H30NO2+ MolecularWeight: 328.4684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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