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

Systemtic Name: [(2R)-1-indol-1-ylpropan-2-yl]-[1-[4-(pyrazin-2-ylcarbonylamino)phenyl]piperidin-4-yl]azanium Openeye Name: [(1R)-2-indol-1-yl-1-methyl-ethyl]-[1-[4-(pyrazine-2-carbonylamino)phenyl]-4-piperidyl]ammonium CAS Name: [(2R)-1-(1-indolyl)propan-2-yl]-[1-[4-[[oxo(2-pyrazinyl)methyl]amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: [(2R)-1-indol-1-ylpropan-2-yl]-[1-[4-(pyrazine-2-carbonylamino)phenyl]piperidin-4-yl]azanium Traditional Name: [(1R)-2-indol-1-yl-1-methyl-ethyl]-[1-[4-(pyrazinoylamino)phenyl]-4-piperidyl]ammonium Formula: C27H31N6O+ MolecularWeight: 455.57464

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CC2=CC=CC=C21)[NH2+]C3CCN(CC3)C4=CC=C(C=C4)NC(=O)C5=NC=CN=C5

Isomeric SMILES

C[C@H](CN1C=CC2=CC=CC=C21)[NH2+]C3CCN(CC3)C4=CC=C(C=C4)NC(=O)C5=NC=CN=C5

InChI

InChI=1S/C27H30N6O/c1-20(19-33-15-10-21-4-2-3-5-26(21)33)30-23-11-16-32(17-12-23)24-8-6-22(7-9-24)31-27(34)25-18-28-13-14-29-25/h2-10,13-15,18,20,23,30H,11-12,16-17,19H2,1H3,(H,31,34)/p+1/t20-/m1/s1