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

Systemtic Name: methyl-[(1R)-2-phenyl-1-[1-(2-piperidin-1-ium-1-ylethanoyl)piperidin-4-yl]ethyl]-(pyridin-3-ylmethyl)azanium Openeye Name: methyl-[(1R)-2-phenyl-1-[1-(2-piperidin-1-ium-1-ylacetyl)-4-piperidyl]ethyl]-(3-pyridylmethyl)ammonium CAS Name: methyl-[(1R)-1-[1-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-4-piperidinyl]-2-phenylethyl]-(3-pyridinylmethyl)ammonium IUPAC Name: methyl-[(1R)-2-phenyl-1-[1-(2-piperidin-1-ium-1-ylacetyl)piperidin-4-yl]ethyl]-(pyridin-3-ylmethyl)azanium Traditional Name: methyl-[(1R)-2-phenyl-1-[1-(2-piperidin-1-ium-1-ylacetyl)-4-piperidyl]ethyl]-(3-pyridylmethyl)ammonium Formula: C27H40N4O+2 MolecularWeight: 436.6327

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN=CC=C1)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)C[NH+]4CCCCC4

Isomeric SMILES

C[NH+](CC1=CN=CC=C1)[C@H](CC2=CC=CC=C2)C3CCN(CC3)C(=O)C[NH+]4CCCCC4

InChI

InChI=1S/C27H38N4O/c1-29(21-24-11-8-14-28-20-24)26(19-23-9-4-2-5-10-23)25-12-17-31(18-13-25)27(32)22-30-15-6-3-7-16-30/h2,4-5,8-11,14,20,25-26H,3,6-7,12-13,15-19,21-22H2,1H3/p+2/t26-/m1/s1