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

Systemtic Name: [6-[(1-methylpyrazol-4-yl)methylamino]pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone Openeye Name: [6-[(1-methylpyrazol-4-yl)methylamino]pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)-1-piperidyl]methanone CAS Name: [6-[(1-methyl-4-pyrazolyl)methylamino]-3-pyridin-1-iumyl]-[4-[2-(1-pyrazolyl)ethyl]-1-piperidinyl]methanone IUPAC Name: [6-[(1-methylpyrazol-4-yl)methylamino]pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone Traditional Name: [6-[(1-methylpyrazol-4-yl)methylamino]pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidino]methanone Formula: C21H28N7O+ MolecularWeight: 394.49332

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)CCN4C=CC=N4

Isomeric SMILES

CN1C=C(C=N1)CNC2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)CCN4C=CC=N4

InChI

InChI=1S/C21H27N7O/c1-26-16-18(14-25-26)13-22-20-4-3-19(15-23-20)21(29)27-10-5-17(6-11-27)7-12-28-9-2-8-24-28/h2-4,8-9,14-17H,5-7,10-13H2,1H3,(H,22,23)/p+1