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

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]-(3-pyridylmethyl)ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(4-hydroxy-3,5-dimethyl-benzyl)-(3-pyridylmethyl)ammonium Formula: C26H39N3O+2 MolecularWeight: 409.60736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C26H37N3O/c1-20-14-24(15-21(2)26(20)30)19-28(18-23-6-5-11-27-16-23)17-22-9-12-29(13-10-22)25-7-3-4-8-25/h5-6,11,14-16,22,25,30H,3-4,7-10,12-13,17-19H2,1-2H3/p+2