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

Systemtic Name: [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(pyridin-4-ylmethylamino)pyridin-1-ium-3-yl]methanone Openeye Name: [4-(2-pyrazol-1-ylethyl)-1-piperidyl]-[6-(4-pyridylmethylamino)pyridin-1-ium-3-yl]methanone CAS Name: [4-[2-(1-pyrazolyl)ethyl]-1-piperidinyl]-[6-(pyridin-4-ylmethylamino)-3-pyridin-1-iumyl]methanone IUPAC Name: [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(pyridin-4-ylmethylamino)pyridin-1-ium-3-yl]methanone Traditional Name: [4-(2-pyrazol-1-ylethyl)piperidino]-[6-(4-pyridylmethylamino)pyridin-1-ium-3-yl]methanone Formula: C22H27N6O+ MolecularWeight: 391.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCN2C=CC=N2)C(=O)C3=C[NH+]=C(C=C3)NCC4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1CCN2C=CC=N2)C(=O)C3=C[NH+]=C(C=C3)NCC4=CC=NC=C4

InChI

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