(1-methylpyrazol-4-yl)methyl-[1-[3-(pyridin-3-ylcarbonylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: (1-methylpyrazol-4-yl)methyl-[1-[3-(pyridin-3-ylcarbonylamino)phenyl]piperidin-4-yl]azanium Openeye Name: (1-methylpyrazol-4-yl)methyl-[1-[3-(pyridine-3-carbonylamino)phenyl]-4-piperidyl]ammonium CAS Name: (1-methyl-4-pyrazolyl)methyl-[1-[3-[[oxo(3-pyridinyl)methyl]amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: (1-methylpyrazol-4-yl)methyl-[1-[3-(pyridine-3-carbonylamino)phenyl]piperidin-4-yl]azanium Traditional Name: (1-methylpyrazol-4-yl)methyl-[1-(3-nicotinamidophenyl)-4-piperidyl]ammonium Formula: C22H27N6O+ MolecularWeight: 391.48938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH2+]C2CCN(CC2)C3=CC(=CC=C3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

CN1C=C(C=N1)C[NH2+]C2CCN(CC2)C3=CC(=CC=C3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H26N6O/c1-27-16-17(14-25-27)13-24-19-7-10-28(11-8-19)21-6-2-5-20(12-21)26-22(29)18-4-3-9-23-15-18/h2-6,9,12,14-16,19,24H,7-8,10-11,13H2,1H3,(H,26,29)/p+1