N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methoxy-4-[(1-methyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C23H29N2O5+ MolecularWeight: 413.48676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NCC3COC4=CC=CC=C4O3)OC

Isomeric SMILES

C[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NC[C@H]3COC4=CC=CC=C4O3)OC

InChI

InChI=1S/C23H28N2O5/c1-25-11-9-17(10-12-25)29-21-8-7-16(13-22(21)27-2)23(26)24-14-18-15-28-19-5-3-4-6-20(19)30-18/h3-8,13,17-18H,9-12,14-15H2,1-2H3,(H,24,26)/p+1/t18-/m0/s1