(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-(3-pyridylmethyl)ammonium Formula: C26H37N3O3+2 MolecularWeight: 439.59028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+](CC3CC[NH+](CC3)C4CCCC4)CC5=CN=CC=C5

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+](CC3CC[NH+](CC3)C4CCCC4)CC5=CN=CC=C5

InChI

InChI=1S/C26H35N3O3/c1-30-24-13-22(14-25-26(24)32-19-31-25)18-28(17-21-5-4-10-27-15-21)16-20-8-11-29(12-9-20)23-6-2-3-7-23/h4-5,10,13-15,20,23H,2-3,6-9,11-12,16-19H2,1H3/p+2