[1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-[(2R)-1-thiophen-2-ylpropan-2-yl]azanium

Systemtic Name: [1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-[(2R)-1-thiophen-2-ylpropan-2-yl]azanium Openeye Name: [(1R)-1-methyl-2-(2-thienyl)ethyl]-[1-[4-(3-pyridylmethylcarbamoyl)phenyl]-4-piperidyl]ammonium CAS Name: [1-[4-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-4-piperidinyl]-[(2R)-1-thiophen-2-ylpropan-2-yl]ammonium IUPAC Name: [1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-[(2R)-1-thiophen-2-ylpropan-2-yl]azanium Traditional Name: [(1R)-1-methyl-2-(2-thienyl)ethyl]-[1-[4-(3-pyridylmethylcarbamoyl)phenyl]-4-piperidyl]ammonium Formula: C25H31N4OS+ MolecularWeight: 435.60484

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CS1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C[C@H](CC1=CC=CS1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C25H30N4OS/c1-19(16-24-5-3-15-31-24)28-22-10-13-29(14-11-22)23-8-6-21(7-9-23)25(30)27-18-20-4-2-12-26-17-20/h2-9,12,15,17,19,22,28H,10-11,13-14,16,18H2,1H3,(H,27,30)/p+1/t19-/m1/s1