[2-[[(2S)-1,4-dioxan-2-yl]methyl-methyl-amino]-6-thiophen-2-yl-pyridin-1-ium-3-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone

Systemtic Name: [2-[[(2S)-1,4-dioxan-2-yl]methyl-methyl-amino]-6-thiophen-2-yl-pyridin-1-ium-3-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Openeye Name: [2-[[(2S)-1,4-dioxan-2-yl]methyl-methyl-amino]-6-(2-thienyl)pyridin-1-ium-3-yl]-(4-piperidin-1-ium-1-yl-1-piperidyl)methanone CAS Name: [2-[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]-6-thiophen-2-yl-3-pyridin-1-iumyl]-[4-(1-piperidin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: [2-[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]-6-thiophen-2-ylpyridin-1-ium-3-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Traditional Name: [2-[[(2S)-1,4-dioxan-2-yl]methyl-methyl-amino]-6-(2-thienyl)pyridin-1-ium-3-yl]-(4-piperidin-1-ium-1-ylpiperidino)methanone Formula: C26H38N4O3S+2 MolecularWeight: 486.66992

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COCCO1)C2=C(C=CC(=[NH+]2)C3=CC=CS3)C(=O)N4CCC(CC4)[NH+]5CCCCC5

Isomeric SMILES

CN(C[C@H]1COCCO1)C2=C(C=CC(=[NH+]2)C3=CC=CS3)C(=O)N4CCC(CC4)[NH+]5CCCCC5

InChI

InChI=1S/C26H36N4O3S/c1-28(18-21-19-32-15-16-33-21)25-22(7-8-23(27-25)24-6-5-17-34-24)26(31)30-13-9-20(10-14-30)29-11-3-2-4-12-29/h5-8,17,20-21H,2-4,9-16,18-19H2,1H3/p+2/t21-/m0/s1