[1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-thiomorpholin-4-yl-methanone Openeye Name: [1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-thiomorpholino-methanone CAS Name: [1-[1-[(6-methyl-2-pyridinyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]-thiomorpholin-4-ylmethanone IUPAC Name: [1-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-thiomorpholin-4-ylmethanone Traditional Name: [1-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-thiomorpholino-methanone Formula: C22H36N4OS+2 MolecularWeight: 404.61244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCSCC4

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCSCC4

InChI

InChI=1S/C22H34N4OS/c1-18-3-2-4-20(23-18)17-24-9-7-21(8-10-24)25-11-5-19(6-12-25)22(27)26-13-15-28-16-14-26/h2-4,19,21H,5-17H2,1H3/p+2