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

Systemtic Name: (5-ethanoylthiophen-3-yl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (5-acetyl-3-thienyl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: (5-acetyl-3-thiophenyl)methyl-[[1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (5-acetylthiophen-3-yl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (5-acetyl-3-thienyl)methyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C22H33N3O2S+2 MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+](CC2CC[NH+](CC2)CCOC)CC3=CC=NC=C3

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+](CC2CC[NH+](CC2)CCOC)CC3=CC=NC=C3

InChI

InChI=1S/C22H31N3O2S/c1-18(26)22-13-21(17-28-22)16-25(14-19-3-7-23-8-4-19)15-20-5-9-24(10-6-20)11-12-27-2/h3-4,7-8,13,17,20H,5-6,9-12,14-16H2,1-2H3/p+2