[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-phenethyl-(phenylmethyl)azanium

Systemtic Name: [1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[1-[(5-bromo-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-phenethyl-ammonium CAS Name: [1-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-phenethylazanium Traditional Name: benzyl-[1-(5-bromo-2-methoxy-benzyl)piperidin-1-ium-4-yl]-phenethyl-ammonium Formula: C28H35BrN2O+2 MolecularWeight: 495.4943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCC(CC2)[NH+](CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCC(CC2)[NH+](CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H33BrN2O/c1-32-28-13-12-26(29)20-25(28)22-30-17-15-27(16-18-30)31(21-24-10-6-3-7-11-24)19-14-23-8-4-2-5-9-23/h2-13,20,27H,14-19,21-22H2,1H3/p+2