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

Systemtic Name: methyl-[(1R)-2-phenyl-1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]ethyl]-(pyridin-4-ylmethyl)azanium Openeye Name: methyl-[(1R)-2-phenyl-1-[1-[3-(2-thienyl)propanoyl]-4-piperidyl]ethyl]-(4-pyridylmethyl)ammonium CAS Name: methyl-[(1R)-1-[1-(1-oxo-3-thiophen-2-ylpropyl)-4-piperidinyl]-2-phenylethyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: methyl-[(1R)-2-phenyl-1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]ethyl]-(pyridin-4-ylmethyl)azanium Traditional Name: methyl-[(1R)-2-phenyl-1-[1-[3-(2-thienyl)propanoyl]-4-piperidyl]ethyl]-(4-pyridylmethyl)ammonium Formula: C27H34N3OS+ MolecularWeight: 448.64336

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=NC=C1)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)CCC4=CC=CS4

Isomeric SMILES

C[NH+](CC1=CC=NC=C1)[C@H](CC2=CC=CC=C2)C3CCN(CC3)C(=O)CCC4=CC=CS4

InChI

InChI=1S/C27H33N3OS/c1-29(21-23-11-15-28-16-12-23)26(20-22-6-3-2-4-7-22)24-13-17-30(18-14-24)27(31)10-9-25-8-5-19-32-25/h2-8,11-12,15-16,19,24,26H,9-10,13-14,17-18,20-21H2,1H3/p+1/t26-/m1/s1