methyl-(1-methylpiperidin-1-ium-4-yl)-[[4-[1-(2-thiophen-3-ylethanoyl)piperidin-4-yl]oxyphenyl]methyl]azanium

Systemtic Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[[4-[1-(2-thiophen-3-ylethanoyl)piperidin-4-yl]oxyphenyl]methyl]azanium Openeye Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[[4-[[1-[2-(3-thienyl)acetyl]-4-piperidyl]oxy]phenyl]methyl]ammonium CAS Name: methyl-(1-methyl-4-piperidin-1-iumyl)-[[4-[[1-[1-oxo-2-(3-thiophenyl)ethyl]-4-piperidinyl]oxy]phenyl]methyl]ammonium IUPAC Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[[4-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]oxyphenyl]methyl]azanium Traditional Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[4-[[1-[2-(3-thienyl)acetyl]-4-piperidyl]oxy]benzyl]ammonium Formula: C25H37N3O2S+2 MolecularWeight: 443.64518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC2=CC=C(C=C2)OC3CCN(CC3)C(=O)CC4=CSC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC2=CC=C(C=C2)OC3CCN(CC3)C(=O)CC4=CSC=C4

InChI

InChI=1S/C25H35N3O2S/c1-26-12-7-22(8-13-26)27(2)18-20-3-5-23(6-4-20)30-24-9-14-28(15-10-24)25(29)17-21-11-16-31-19-21/h3-6,11,16,19,22,24H,7-10,12-15,17-18H2,1-2H3/p+2