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

Systemtic Name: [1-[4-(pyrazin-2-ylcarbonylamino)phenyl]piperidin-4-yl]-[(2R)-1-thiophen-3-ylpropan-2-yl]azanium Openeye Name: [(1R)-1-methyl-2-(3-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-(3-thiophenyl)propan-2-yl]ammonium IUPAC Name: [1-[4-(pyrazine-2-carbonylamino)phenyl]piperidin-4-yl]-[(2R)-1-thiophen-3-ylpropan-2-yl]azanium Traditional Name: [(1R)-1-methyl-2-(3-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=CSC=C1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=NC=CN=C4

Isomeric SMILES

C[C@H](CC1=CSC=C1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=NC=CN=C4

InChI

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