[6-(2,2-dimethylpropylamino)pyridin-1-ium-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

Systemtic Name: [6-(2,2-dimethylpropylamino)pyridin-1-ium-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone Openeye Name: [6-(2,2-dimethylpropylamino)pyridin-1-ium-3-yl]-[4-(3-pyridyloxy)-1-piperidyl]methanone CAS Name: [6-(2,2-dimethylpropylamino)-3-pyridin-1-iumyl]-[4-(3-pyridinyloxy)-1-piperidinyl]methanone IUPAC Name: [6-(2,2-dimethylpropylamino)pyridin-1-ium-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone Traditional Name: [6-(neopentylamino)pyridin-1-ium-3-yl]-[4-(3-pyridyloxy)piperidino]methanone Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=[NH+]C=C(C=C1)C(=O)N2CCC(CC2)OC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)CNC1=[NH+]C=C(C=C1)C(=O)N2CCC(CC2)OC3=CN=CC=C3

InChI

InChI=1S/C21H28N4O2/c1-21(2,3)15-24-19-7-6-16(13-23-19)20(26)25-11-8-17(9-12-25)27-18-5-4-10-22-14-18/h4-7,10,13-14,17H,8-9,11-12,15H2,1-3H3,(H,23,24)/p+1