[6-(azocan-1-yl)pyridin-1-ium-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

Systemtic Name: [6-(azocan-1-yl)pyridin-1-ium-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone Openeye Name: [6-(azocan-1-yl)pyridin-1-ium-3-yl]-[4-(3-pyridyloxy)-1-piperidyl]methanone CAS Name: [6-(1-azocanyl)-3-pyridin-1-iumyl]-[4-(3-pyridinyloxy)-1-piperidinyl]methanone IUPAC Name: [6-(azocan-1-yl)pyridin-1-ium-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone Traditional Name: [6-(azocan-1-yl)pyridin-1-ium-3-yl]-[4-(3-pyridyloxy)piperidino]methanone Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)OC4=CN=CC=C4

Isomeric SMILES

C1CCCN(CCC1)C2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)OC4=CN=CC=C4

InChI

InChI=1S/C23H30N4O2/c28-23(27-15-10-20(11-16-27)29-21-7-6-12-24-18-21)19-8-9-22(25-17-19)26-13-4-2-1-3-5-14-26/h6-9,12,17-18,20H,1-5,10-11,13-16H2/p+1