[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(2-prop-2-enoxyphenyl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(2-prop-2-enoxyphenyl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (2-allyloxyphenyl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: [1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl-[(2-prop-2-enoxyphenyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(2-prop-2-enoxyphenyl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (2-allyloxybenzyl)-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C25H37N3O2+2 MolecularWeight: 411.58018

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=NC=C2)CC3=CC=CC=C3OCC=C

Isomeric SMILES

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=NC=C2)CC3=CC=CC=C3OCC=C

InChI

InChI=1S/C25H35N3O2/c1-3-17-30-25-7-5-4-6-24(25)21-28(19-22-8-12-26-13-9-22)20-23-10-14-27(15-11-23)16-18-29-2/h3-9,12-13,23H,1,10-11,14-21H2,2H3/p+2