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

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-6-methyl-2,3-dihydro-1,4-dioxin-5-carboxamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-6-methyl-2,3-dihydro-p-dioxin-5-carboxamide Formula: C18H31N2O3+ MolecularWeight: 323.45034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OCCO1)C(=O)NC2CCC[NH+](C2)C3CCCCCC3

Isomeric SMILES

CC1=C(OCCO1)C(=O)N[C@H]2CCC[NH+](C2)C3CCCCCC3

InChI

InChI=1S/C18H30N2O3/c1-14-17(23-12-11-22-14)18(21)19-15-7-6-10-20(13-15)16-8-4-2-3-5-9-16/h15-16H,2-13H2,1H3,(H,19,21)/p+1/t15-/m0/s1