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

Systemtic Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-(3-methylsulfanylpropyl)-(pyridin-4-ylmethyl)azanium Openeye Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-(3-methylsulfanylpropyl)-(4-pyridylmethyl)ammonium CAS Name: [1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl-[3-(methylthio)propyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-(3-methylsulfanylpropyl)-(pyridin-4-ylmethyl)azanium Traditional Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[3-(methylthio)propyl]-(4-pyridylmethyl)ammonium Formula: C19H35N3OS+2 MolecularWeight: 353.5657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H33N3OS/c1-23-14-13-21-11-6-19(7-12-21)17-22(10-3-15-24-2)16-18-4-8-20-9-5-18/h4-5,8-9,19H,3,6-7,10-17H2,1-2H3/p+2