6-methyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide

Systemtic Name: 6-methyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide Openeye Name: 6-methyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide CAS Name: 6-methyl-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-2,3-dihydro-1,4-dioxin-5-carboxamide IUPAC Name: 6-methyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide Traditional Name: 6-methyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-2,3-dihydro-p-dioxin-5-carboxamide Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OCCO1)C(=O)NC2CCC[NH+](C2)CC3=CC=CC=N3

Isomeric SMILES

CC1=C(OCCO1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=N3

InChI

InChI=1S/C17H23N3O3/c1-13-16(23-10-9-22-13)17(21)19-15-6-4-8-20(12-15)11-14-5-2-3-7-18-14/h2-3,5,7,15H,4,6,8-12H2,1H3,(H,19,21)/p+1/t15-/m0/s1