[1-[4-(pyrazin-2-ylcarbonylamino)phenyl]piperidin-4-yl]-[(1S)-1-thiophen-2-ylethyl]azanium

Systemtic Name: [1-[4-(pyrazin-2-ylcarbonylamino)phenyl]piperidin-4-yl]-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: [1-[4-(pyrazine-2-carbonylamino)phenyl]-4-piperidyl]-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: [1-[4-[[oxo(2-pyrazinyl)methyl]amino]phenyl]-4-piperidinyl]-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [1-[4-(pyrazine-2-carbonylamino)phenyl]piperidin-4-yl]-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: [1-[4-(pyrazinoylamino)phenyl]-4-piperidyl]-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C22H26N5OS+ MolecularWeight: 408.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=NC=CN=C4

Isomeric SMILES

C[C@@H](C1=CC=CS1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=NC=CN=C4

InChI

InChI=1S/C22H25N5OS/c1-16(21-3-2-14-29-21)25-18-8-12-27(13-9-18)19-6-4-17(5-7-19)26-22(28)20-15-23-10-11-24-20/h2-7,10-11,14-16,18,25H,8-9,12-13H2,1H3,(H,26,28)/p+1/t16-/m0/s1