2-methoxyethyl-[(1R)-2-phenyl-1-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]ethyl]-(pyridin-2-ylmethyl)azanium

Systemtic Name: 2-methoxyethyl-[(1R)-2-phenyl-1-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]ethyl]-(pyridin-2-ylmethyl)azanium Openeye Name: 2-methoxyethyl-[(1R)-2-phenyl-1-[1-(2-thienylmethyl)piperidin-1-ium-4-yl]ethyl]-(2-pyridylmethyl)ammonium CAS Name: 2-methoxyethyl-[(1R)-2-phenyl-1-[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]ethyl]-(2-pyridinylmethyl)ammonium IUPAC Name: 2-methoxyethyl-[(1R)-2-phenyl-1-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]ethyl]-(pyridin-2-ylmethyl)azanium Traditional Name: 2-methoxyethyl-[(1R)-2-phenyl-1-[1-(2-thenyl)piperidin-1-ium-4-yl]ethyl]-(2-pyridylmethyl)ammonium Formula: C27H37N3OS+2 MolecularWeight: 451.66718

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+](CC1=CC=CC=N1)C(CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

COCC[NH+](CC1=CC=CC=N1)[C@H](CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C27H35N3OS/c1-31-18-17-30(21-25-10-5-6-14-28-25)27(20-23-8-3-2-4-9-23)24-12-15-29(16-13-24)22-26-11-7-19-32-26/h2-11,14,19,24,27H,12-13,15-18,20-22H2,1H3/p+2/t27-/m1/s1