(4-cyclopentyloxyphenyl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: (4-cyclopentyloxyphenyl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: [4-(cyclopentoxy)phenyl]methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: (4-cyclopentyloxyphenyl)methyl-[[1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (4-cyclopentyloxyphenyl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [4-(cyclopentoxy)benzyl]-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C27H41N3O2+2 MolecularWeight: 439.63334

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=C(C=C2)OC3CCCC3)CC4=CC=NC=C4

Isomeric SMILES

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=C(C=C2)OC3CCCC3)CC4=CC=NC=C4

InChI

InChI=1S/C27H39N3O2/c1-31-19-18-29-16-12-25(13-17-29)22-30(21-24-10-14-28-15-11-24)20-23-6-8-27(9-7-23)32-26-4-2-3-5-26/h6-11,14-15,25-26H,2-5,12-13,16-22H2,1H3/p+2