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

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(2-methoxy-4-oxidanyl-phenyl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(4-hydroxy-2-methoxy-phenyl)methyl]-(3-pyridylmethyl)ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[(4-hydroxy-2-methoxyphenyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(4-hydroxy-2-methoxyphenyl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(4-hydroxy-2-methoxy-benzyl)-(3-pyridylmethyl)ammonium Formula: C25H37N3O2+2 MolecularWeight: 411.58018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)O)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)O)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C25H35N3O2/c1-30-25-15-24(29)9-8-22(25)19-27(18-21-5-4-12-26-16-21)17-20-10-13-28(14-11-20)23-6-2-3-7-23/h4-5,8-9,12,15-16,20,23,29H,2-3,6-7,10-11,13-14,17-19H2,1H3/p+2