(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(3-ethoxy-4-hydroxy-phenyl)methyl]-(3-pyridylmethyl)ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[(3-ethoxy-4-hydroxyphenyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(3-ethoxy-4-hydroxyphenyl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(3-ethoxy-4-hydroxy-benzyl)-(3-pyridylmethyl)ammonium Formula: C26H39N3O2+2 MolecularWeight: 425.60676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4)O

InChI

InChI=1S/C26H37N3O2/c1-2-31-26-16-22(9-10-25(26)30)19-28(20-23-6-5-13-27-17-23)18-21-11-14-29(15-12-21)24-7-3-4-8-24/h5-6,9-10,13,16-17,21,24,30H,2-4,7-8,11-12,14-15,18-20H2,1H3/p+2