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

Systemtic Name: [6-(pentan-3-ylamino)pyridin-1-ium-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone Openeye Name: [6-(1-ethylpropylamino)pyridin-1-ium-3-yl]-[4-(3-pyridyloxy)-1-piperidyl]methanone CAS Name: [6-(pentan-3-ylamino)-3-pyridin-1-iumyl]-[4-(3-pyridinyloxy)-1-piperidinyl]methanone IUPAC Name: [6-(pentan-3-ylamino)pyridin-1-ium-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone Traditional Name: [6-(1-ethylpropylamino)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:

CCC(CC)NC1=[NH+]C=C(C=C1)C(=O)N2CCC(CC2)OC3=CN=CC=C3

Isomeric SMILES

CCC(CC)NC1=[NH+]C=C(C=C1)C(=O)N2CCC(CC2)OC3=CN=CC=C3

InChI

InChI=1S/C21H28N4O2/c1-3-17(4-2)24-20-8-7-16(14-23-20)21(26)25-12-9-18(10-13-25)27-19-6-5-11-22-15-19/h5-8,11,14-15,17-18H,3-4,9-10,12-13H2,1-2H3,(H,23,24)/p+1