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

Systemtic Name: [(1R)-3-imidazol-1-yl-1-phenyl-propyl]-[1-[4-(pyrazin-2-ylcarbonylamino)phenyl]piperidin-4-yl]azanium Openeye Name: [(1R)-3-imidazol-1-yl-1-phenyl-propyl]-[1-[4-(pyrazine-2-carbonylamino)phenyl]-4-piperidyl]ammonium CAS Name: [(1R)-3-(1-imidazolyl)-1-phenylpropyl]-[1-[4-[[oxo(2-pyrazinyl)methyl]amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: [(1R)-3-imidazol-1-yl-1-phenylpropyl]-[1-[4-(pyrazine-2-carbonylamino)phenyl]piperidin-4-yl]azanium Traditional Name: [(1R)-3-imidazol-1-yl-1-phenyl-propyl]-[1-[4-(pyrazinoylamino)phenyl]-4-piperidyl]ammonium Formula: C28H32N7O+ MolecularWeight: 482.59998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]C(CCN2C=CN=C2)C3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)C5=NC=CN=C5

Isomeric SMILES

C1CN(CCC1[NH2+][C@H](CCN2C=CN=C2)C3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)C5=NC=CN=C5

InChI

InChI=1S/C28H31N7O/c36-28(27-20-29-13-14-31-27)33-23-6-8-25(9-7-23)35-17-10-24(11-18-35)32-26(22-4-2-1-3-5-22)12-16-34-19-15-30-21-34/h1-9,13-15,19-21,24,26,32H,10-12,16-18H2,(H,33,36)/p+1/t26-/m1/s1