2-methoxyethyl-[(1R)-2-phenyl-1-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]ethyl]-(pyridin-2-ylmethyl)azanium

Systemtic Name: 2-methoxyethyl-[(1R)-2-phenyl-1-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]ethyl]-(pyridin-2-ylmethyl)azanium Openeye Name: 2-methoxyethyl-[(1R)-2-phenyl-1-[1-(3-thienylmethyl)piperidin-1-ium-4-yl]ethyl]-(2-pyridylmethyl)ammonium CAS Name: 2-methoxyethyl-[(1R)-2-phenyl-1-[1-(3-thiophenylmethyl)-4-piperidin-1-iumyl]ethyl]-(2-pyridinylmethyl)ammonium IUPAC Name: 2-methoxyethyl-[(1R)-2-phenyl-1-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]ethyl]-(pyridin-2-ylmethyl)azanium Traditional Name: 2-methoxyethyl-[(1R)-2-phenyl-1-[1-(3-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=CSC=C4

Isomeric SMILES

COCC[NH+](CC1=CC=CC=N1)[C@H](CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CSC=C4

InChI

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