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

Systemtic Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(3-methylsulfanylphenyl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(3-methylsulfanylphenyl)methyl]-(4-pyridylmethyl)ammonium CAS Name: [1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl-[[3-(methylthio)phenyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[(3-methylsulfanylphenyl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl-[3-(methylthio)benzyl]-(4-pyridylmethyl)ammonium Formula: C23H35N3OS+2 MolecularWeight: 401.6085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3OS/c1-27-15-14-25-12-8-21(9-13-25)18-26(17-20-6-10-24-11-7-20)19-22-4-3-5-23(16-22)28-2/h3-7,10-11,16,21H,8-9,12-15,17-19H2,1-2H3/p+2