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

Systemtic Name: 2-methoxyethyl-[(1R)-2-phenyl-1-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]ethyl]-(pyridin-3-ylmethyl)azanium Openeye Name: 2-methoxyethyl-[(1R)-2-phenyl-1-[1-(2-thienylmethyl)piperidin-1-ium-4-yl]ethyl]-(3-pyridylmethyl)ammonium CAS Name: 2-methoxyethyl-[(1R)-2-phenyl-1-[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]ethyl]-(3-pyridinylmethyl)ammonium IUPAC Name: 2-methoxyethyl-[(1R)-2-phenyl-1-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]ethyl]-(pyridin-3-ylmethyl)azanium Traditional Name: 2-methoxyethyl-[(1R)-2-phenyl-1-[1-(2-thenyl)piperidin-1-ium-4-yl]ethyl]-(3-pyridylmethyl)ammonium Formula: C27H37N3OS+2 MolecularWeight: 451.66718

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+](CC1=CN=CC=C1)C(CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

COCC[NH+](CC1=CN=CC=C1)[C@H](CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=CS4

InChI

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