N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C25H33N2O4+ MolecularWeight: 425.54052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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