[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[6-(2-pyridin-4-ylethylamino)pyridin-1-ium-3-yl]methanone

Systemtic Name: [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[6-(2-pyridin-4-ylethylamino)pyridin-1-ium-3-yl]methanone Openeye Name: [4-(pyrazol-1-ylmethyl)-1-piperidyl]-[6-[2-(4-pyridyl)ethylamino]pyridin-1-ium-3-yl]methanone CAS Name: [4-(1-pyrazolylmethyl)-1-piperidinyl]-[6-(2-pyridin-4-ylethylamino)-3-pyridin-1-iumyl]methanone IUPAC Name: [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[6-(2-pyridin-4-ylethylamino)pyridin-1-ium-3-yl]methanone Traditional Name: [4-(pyrazol-1-ylmethyl)piperidino]-[6-[2-(4-pyridyl)ethylamino]pyridin-1-ium-3-yl]methanone Formula: C22H27N6O+ MolecularWeight: 391.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C=CC=N2)C(=O)C3=C[NH+]=C(C=C3)NCCC4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1CN2C=CC=N2)C(=O)C3=C[NH+]=C(C=C3)NCCC4=CC=NC=C4

InChI

InChI=1S/C22H26N6O/c29-22(27-14-7-19(8-15-27)17-28-13-1-9-26-28)20-2-3-21(25-16-20)24-12-6-18-4-10-23-11-5-18/h1-5,9-11,13,16,19H,6-8,12,14-15,17H2,(H,24,25)/p+1