[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(5-ethanoylthiophen-3-yl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(5-ethanoylthiophen-3-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (5-acetyl-3-thienyl)methyl-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-(3-pyridylmethyl)ammonium CAS Name: (5-acetyl-3-thiophenyl)methyl-[[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (5-acetylthiophen-3-yl)methyl-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (5-acetyl-3-thienyl)methyl-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-(3-pyridylmethyl)ammonium Formula: C25H37N3OS+2 MolecularWeight: 427.64578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+](CC2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+](C[C@H]2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C25H35N3OS/c1-20(29)25-13-23(19-30-25)17-27(15-21-7-5-11-26-14-21)16-22-8-6-12-28(18-22)24-9-3-2-4-10-24/h5,7,11,13-14,19,22,24H,2-4,6,8-10,12,15-18H2,1H3/p+2/t22-/m1/s1