[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-[(4-methoxy-3-oxidanyl-phenyl)methyl]-(2-piperidin-1-ylethyl)azanium

Systemtic Name: [(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-[(4-methoxy-3-oxidanyl-phenyl)methyl]-(2-piperidin-1-ylethyl)azanium Openeye Name: [(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-[(3-hydroxy-4-methoxy-phenyl)methyl]-[2-(1-piperidyl)ethyl]ammonium CAS Name: [(3R)-1-cyclopentyl-3-piperidin-1-iumyl]methyl-[(3-hydroxy-4-methoxyphenyl)methyl]-[2-(1-piperidinyl)ethyl]ammonium IUPAC Name: [(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-[(3-hydroxy-4-methoxyphenyl)methyl]-(2-piperidin-1-ylethyl)azanium Traditional Name: [(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-(3-hydroxy-4-methoxy-benzyl)-(2-piperidinoethyl)ammonium Formula: C26H45N3O2+2 MolecularWeight: 431.6544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+](CCN2CCCCC2)CC3CCC[NH+](C3)C4CCCC4)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+](CCN2CCCCC2)C[C@H]3CCC[NH+](C3)C4CCCC4)O

InChI

InChI=1S/C26H43N3O2/c1-31-26-12-11-22(18-25(26)30)19-28(17-16-27-13-5-2-6-14-27)20-23-8-7-15-29(21-23)24-9-3-4-10-24/h11-12,18,23-24,30H,2-10,13-17,19-21H2,1H3/p+2/t23-/m1/s1