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

Systemtic Name: (5-ethanoylthiophen-3-yl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (5-acetyl-3-thienyl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]methyl]-(4-pyridylmethyl)ammonium CAS Name: (5-acetyl-3-thiophenyl)methyl-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidinyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (5-acetylthiophen-3-yl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (5-acetyl-3-thienyl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]methyl]-(4-pyridylmethyl)ammonium Formula: C25H38N4OS+2 MolecularWeight: 442.66042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+](CC2CCN(CC2)C3CC[NH+](CC3)C)CC4=CC=NC=C4

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+](CC2CCN(CC2)C3CC[NH+](CC3)C)CC4=CC=NC=C4

InChI

InChI=1S/C25H36N4OS/c1-20(30)25-15-23(19-31-25)18-28(16-21-3-9-26-10-4-21)17-22-5-13-29(14-6-22)24-7-11-27(2)12-8-24/h3-4,9-10,15,19,22,24H,5-8,11-14,16-18H2,1-2H3/p+2