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

Systemtic Name: (6-chloranyl-1,3-benzodioxol-5-yl)methyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-(3-pyridylmethyl)ammonium Formula: C25H34ClN3O2+2 MolecularWeight: 444.00936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)C[NH+](CC3=CN=CC=C3)CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)C[NH+](CC3=CN=CC=C3)CC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C25H32ClN3O2/c26-23-13-25-24(30-18-31-25)12-21(23)17-28(16-20-4-3-9-27-14-20)15-19-7-10-29(11-8-19)22-5-1-2-6-22/h3-4,9,12-14,19,22H,1-2,5-8,10-11,15-18H2/p+2