N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-piperidin-1-ium-1-yl-1,3-dihydroindene-2-carboxamide

Systemtic Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-piperidin-1-ium-1-yl-1,3-dihydroindene-2-carboxamide Openeye Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-piperidin-1-ium-1-yl-indane-2-carboxamide CAS Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(1-piperidin-1-iumyl)-1,3-dihydroindene-2-carboxamide IUPAC Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-piperidin-1-ium-1-yl-1,3-dihydroindene-2-carboxamide Traditional Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-piperidin-1-ium-1-yl-indane-2-carboxamide Formula: C20H29N2O3+ MolecularWeight: 345.45586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CC3=CC=CC=C3C2)C(=O)NCC4COCCO4

Isomeric SMILES

C1CC[NH+](CC1)C2(CC3=CC=CC=C3C2)C(=O)NC[C@H]4COCCO4

InChI

InChI=1S/C20H28N2O3/c23-19(21-14-18-15-24-10-11-25-18)20(22-8-4-1-5-9-22)12-16-6-2-3-7-17(16)13-20/h2-3,6-7,18H,1,4-5,8-15H2,(H,21,23)/p+1/t18-/m0/s1