(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(8-methoxy-2H-chromen-3-yl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(8-methoxy-2H-chromen-3-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(8-methoxy-2H-chromen-3-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[(8-methoxy-2H-1-benzopyran-3-yl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(8-methoxy-2H-chromen-3-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(8-methoxy-2H-chromen-3-yl)methyl]-(3-pyridylmethyl)ammonium Formula: C28H39N3O2+2 MolecularWeight: 449.62816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(=C2)C[NH+](CC3CC[NH+](CC3)C4CCCC4)CC5=CN=CC=C5

Isomeric SMILES

COC1=CC=CC2=C1OCC(=C2)C[NH+](CC3CC[NH+](CC3)C4CCCC4)CC5=CN=CC=C5

InChI

InChI=1S/C28H37N3O2/c1-32-27-10-4-7-25-16-24(21-33-28(25)27)20-30(19-23-6-5-13-29-17-23)18-22-11-14-31(15-12-22)26-8-2-3-9-26/h4-7,10,13,16-17,22,26H,2-3,8-9,11-12,14-15,18-21H2,1H3/p+2