N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C25H33N2O4+ MolecularWeight: 425.54052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NCC3COCCO3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NC[C@H]3COCCO3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H32N2O4/c28-25(26-18-24-19-29-16-17-30-24)21-6-8-22(9-7-21)31-23-11-14-27(15-12-23)13-10-20-4-2-1-3-5-20/h1-9,23-24H,10-19H2,(H,26,28)/p+1/t24-/m0/s1