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

Systemtic Name: [6-(azepan-1-yl)pyridin-1-ium-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone Openeye Name: [6-(azepan-1-yl)pyridin-1-ium-3-yl]-[4-(3-pyridyloxy)-1-piperidyl]methanone CAS Name: [6-(1-azepanyl)-3-pyridin-1-iumyl]-[4-(3-pyridinyloxy)-1-piperidinyl]methanone IUPAC Name: [6-(azepan-1-yl)pyridin-1-ium-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone Traditional Name: [6-(azepan-1-yl)pyridin-1-ium-3-yl]-[4-(3-pyridyloxy)piperidino]methanone Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)OC4=CN=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)OC4=CN=CC=C4

InChI

InChI=1S/C22H28N4O2/c27-22(18-7-8-21(24-16-18)25-12-3-1-2-4-13-25)26-14-9-19(10-15-26)28-20-6-5-11-23-17-20/h5-8,11,16-17,19H,1-4,9-10,12-15H2/p+1