[1-[4-(pyrazin-2-ylcarbonylamino)phenyl]piperidin-4-yl]-[(3-pyrazol-1-ylphenyl)methyl]azanium

Systemtic Name: [1-[4-(pyrazin-2-ylcarbonylamino)phenyl]piperidin-4-yl]-[(3-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: [1-[4-(pyrazine-2-carbonylamino)phenyl]-4-piperidyl]-[(3-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: [1-[4-[[oxo(2-pyrazinyl)methyl]amino]phenyl]-4-piperidinyl]-[[3-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: [1-[4-(pyrazine-2-carbonylamino)phenyl]piperidin-4-yl]-[(3-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: [1-[4-(pyrazinoylamino)phenyl]-4-piperidyl]-(3-pyrazol-1-ylbenzyl)ammonium Formula: C26H28N7O+ MolecularWeight: 454.54682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2=CC(=CC=C2)N3C=CC=N3)C4=CC=C(C=C4)NC(=O)C5=NC=CN=C5

Isomeric SMILES

C1CN(CCC1[NH2+]CC2=CC(=CC=C2)N3C=CC=N3)C4=CC=C(C=C4)NC(=O)C5=NC=CN=C5

InChI

InChI=1S/C26H27N7O/c34-26(25-19-27-12-13-28-25)31-22-5-7-23(8-6-22)32-15-9-21(10-16-32)29-18-20-3-1-4-24(17-20)33-14-2-11-30-33/h1-8,11-14,17,19,21,29H,9-10,15-16,18H2,(H,31,34)/p+1