[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(5-ethanoylthiophen-3-yl)methyl]azanium

Systemtic Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(5-ethanoylthiophen-3-yl)methyl]azanium Openeye Name: (5-acetyl-3-thienyl)methyl-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]ammonium CAS Name: (5-acetyl-3-thiophenyl)methyl-[[2-(1-azocanyl)-3-pyridin-1-iumyl]methyl]ammonium IUPAC Name: (5-acetylthiophen-3-yl)methyl-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]azanium Traditional Name: (5-acetyl-3-thienyl)methyl-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]ammonium Formula: C20H29N3OS+2 MolecularWeight: 359.52876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH2+]CC2=C([NH+]=CC=C2)N3CCCCCCC3

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH2+]CC2=C([NH+]=CC=C2)N3CCCCCCC3

InChI

InChI=1S/C20H27N3OS/c1-16(24)19-12-17(15-25-19)13-21-14-18-8-7-9-22-20(18)23-10-5-3-2-4-6-11-23/h7-9,12,15,21H,2-6,10-11,13-14H2,1H3/p+2