(3-methoxy-4-phenethyloxy-phenyl)methyl-pentyl-azanium

Systemtic Name: (3-methoxy-4-phenethyloxy-phenyl)methyl-pentyl-azanium Openeye Name: (3-methoxy-4-phenethyloxy-phenyl)methyl-pentyl-ammonium CAS Name: (3-methoxy-4-phenethyloxyphenyl)methyl-pentylammonium IUPAC Name: (3-methoxy-4-phenethyloxyphenyl)methyl-pentylazanium Traditional Name: amyl-(3-methoxy-4-phenethyloxy-benzyl)ammonium Formula: C21H30NO2+ MolecularWeight: 328.4684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH2+]CC1=CC(=C(C=C1)OCCC2=CC=CC=C2)OC

Isomeric SMILES

CCCCC[NH2+]CC1=CC(=C(C=C1)OCCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H29NO2/c1-3-4-8-14-22-17-19-11-12-20(21(16-19)23-2)24-15-13-18-9-6-5-7-10-18/h5-7,9-12,16,22H,3-4,8,13-15,17H2,1-2H3/p+1