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

Systemtic Name: 6-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide Openeye Name: 6-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide CAS Name: 6-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2,3-dihydro-1,4-dioxin-5-carboxamide IUPAC Name: 6-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide Traditional Name: 6-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2,3-dihydro-p-dioxin-5-carboxamide Formula: C19H27N2O3+ MolecularWeight: 331.42928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OCCO1)C(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(OCCO1)C(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C19H26N2O3/c1-15-18(24-13-12-23-15)19(22)20-17-8-5-10-21(14-17)11-9-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3,(H,20,22)/p+1/t17-/m0/s1