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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1CNC2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)CN4C=CC=N4

Isomeric SMILES

CCN1C=CN=C1CNC2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)CN4C=CC=N4

InChI

InChI=1S/C21H27N7O/c1-2-26-13-9-22-20(26)15-24-19-5-4-18(14-23-19)21(29)27-11-6-17(7-12-27)16-28-10-3-8-25-28/h3-5,8-10,13-14,17H,2,6-7,11-12,15-16H2,1H3,(H,23,24)/p+1