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

Systemtic Name: [6-[(1-methylpyrazol-4-yl)methylamino]pyridin-1-ium-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone Openeye Name: [6-[(1-methylpyrazol-4-yl)methylamino]pyridin-1-ium-3-yl]-[4-(pyrazol-1-ylmethyl)-1-piperidyl]methanone CAS Name: [6-[(1-methyl-4-pyrazolyl)methylamino]-3-pyridin-1-iumyl]-[4-(1-pyrazolylmethyl)-1-piperidinyl]methanone IUPAC Name: [6-[(1-methylpyrazol-4-yl)methylamino]pyridin-1-ium-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone Traditional Name: [6-[(1-methylpyrazol-4-yl)methylamino]pyridin-1-ium-3-yl]-[4-(pyrazol-1-ylmethyl)piperidino]methanone Formula: C20H26N7O+ MolecularWeight: 380.46674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)CN4C=CC=N4

Isomeric SMILES

CN1C=C(C=N1)CNC2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)CN4C=CC=N4

InChI

InChI=1S/C20H25N7O/c1-25-14-17(12-24-25)11-21-19-4-3-18(13-22-19)20(28)26-9-5-16(6-10-26)15-27-8-2-7-23-27/h2-4,7-8,12-14,16H,5-6,9-11,15H2,1H3,(H,21,22)/p+1