(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(2-ethoxyphenyl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(2-ethoxyphenyl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(2-ethoxyphenyl)methyl]-(3-pyridylmethyl)ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[(2-ethoxyphenyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(2-ethoxyphenyl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(2-ethoxybenzyl)-(3-pyridylmethyl)ammonium Formula: C26H39N3O+2 MolecularWeight: 409.60736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C26H37N3O/c1-2-30-26-12-6-3-9-24(26)21-28(20-23-8-7-15-27-18-23)19-22-13-16-29(17-14-22)25-10-4-5-11-25/h3,6-9,12,15,18,22,25H,2,4-5,10-11,13-14,16-17,19-21H2,1H3/p+2