(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-pentyl-azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-pentyl-azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl-pentyl-ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-pentylammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-pentylazanium Traditional Name: amyl-(4-benzoxy-3-bromo-5-methoxy-benzyl)ammonium Formula: C20H27BrNO2+ MolecularWeight: 393.33788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26BrNO2/c1-3-4-8-11-22-14-17-12-18(21)20(19(13-17)23-2)24-15-16-9-6-5-7-10-16/h5-7,9-10,12-13,22H,3-4,8,11,14-15H2,1-2H3/p+1