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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(1-pyrrolidin-1-iumyl)piperidin-1-ium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-pyrrolidin-1-ium-1-ylpiperidin-1-ium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium Formula: C17H27BrN2O+2 MolecularWeight: 355.31308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCC(CC2)[NH+]3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCC(CC2)[NH+]3CCCC3

InChI

InChI=1S/C17H25BrN2O/c1-21-17-5-4-15(18)12-14(17)13-19-10-6-16(7-11-19)20-8-2-3-9-20/h4-5,12,16H,2-3,6-11,13H2,1H3/p+2