[1-[4-(pyrazin-2-ylcarbonylamino)phenyl]piperidin-4-yl]-[(2R)-1-thiophen-2-ylpropan-2-yl]azanium

Systemtic Name: [1-[4-(pyrazin-2-ylcarbonylamino)phenyl]piperidin-4-yl]-[(2R)-1-thiophen-2-ylpropan-2-yl]azanium Openeye Name: [(1R)-1-methyl-2-(2-thienyl)ethyl]-[1-[4-(pyrazine-2-carbonylamino)phenyl]-4-piperidyl]ammonium CAS Name: [1-[4-[[oxo(2-pyrazinyl)methyl]amino]phenyl]-4-piperidinyl]-[(2R)-1-thiophen-2-ylpropan-2-yl]ammonium IUPAC Name: [1-[4-(pyrazine-2-carbonylamino)phenyl]piperidin-4-yl]-[(2R)-1-thiophen-2-ylpropan-2-yl]azanium Traditional Name: [(1R)-1-methyl-2-(2-thienyl)ethyl]-[1-[4-(pyrazinoylamino)phenyl]-4-piperidyl]ammonium Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5OS/c1-17(15-21-3-2-14-30-21)26-19-8-12-28(13-9-19)20-6-4-18(5-7-20)27-23(29)22-16-24-10-11-25-22/h2-7,10-11,14,16-17,19,26H,8-9,12-13,15H2,1H3,(H,27,29)/p+1/t17-/m1/s1