1,3-benzodioxol-4-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: 1,3-benzodioxol-4-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 1,3-benzodioxol-4-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: 1,3-benzodioxol-4-ylmethyl-[[1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 1,3-benzodioxol-4-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: 1,3-benzodioxol-4-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C23H33N3O3+2 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=NC=C2)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=NC=C2)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C23H31N3O3/c1-27-14-13-25-11-7-20(8-12-25)16-26(15-19-5-9-24-10-6-19)17-21-3-2-4-22-23(21)29-18-28-22/h2-6,9-10,20H,7-8,11-18H2,1H3/p+2