methyl-(1-methylpiperidin-1-ium-4-yl)-[[3-[[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]methoxy]phenyl]methyl]azanium

Systemtic Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[[3-[[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]methoxy]phenyl]methyl]azanium Openeye Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[[3-[[(3S)-1-(thiophene-2-carbonyl)-3-piperidyl]methoxy]phenyl]methyl]ammonium CAS Name: methyl-(1-methyl-4-piperidin-1-iumyl)-[[3-[[(3S)-1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]methoxy]phenyl]methyl]ammonium IUPAC Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[[3-[[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]azanium Traditional Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[3-[[(3S)-1-(2-thenoyl)-3-piperidyl]methoxy]benzyl]ammonium Formula: C25H37N3O2S+2 MolecularWeight: 443.64518

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC2=CC(=CC=C2)OCC3CCCN(C3)C(=O)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC2=CC(=CC=C2)OC[C@H]3CCCN(C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H35N3O2S/c1-26-13-10-22(11-14-26)27(2)17-20-6-3-8-23(16-20)30-19-21-7-4-12-28(18-21)25(29)24-9-5-15-31-24/h3,5-6,8-9,15-16,21-22H,4,7,10-14,17-19H2,1-2H3/p+2/t21-/m0/s1