(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: (3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (3-chloro-4-hydroxy-5-methoxy-phenyl)methyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: (3-chloro-4-hydroxy-5-methoxyphenyl)methyl-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (3-chloro-4-hydroxy-5-methoxyphenyl)methyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (3-chloro-4-hydroxy-5-methoxy-benzyl)-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-(3-pyridylmethyl)ammonium Formula: C25H36ClN3O2+2 MolecularWeight: 446.02524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34ClN3O2/c1-31-24-14-21(13-23(26)25(24)30)18-28(17-20-5-4-10-27-15-20)16-19-8-11-29(12-9-19)22-6-2-3-7-22/h4-5,10,13-15,19,22,30H,2-3,6-9,11-12,16-18H2,1H3/p+2