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

Systemtic Name: [6-(3-methylbutylamino)pyridin-1-ium-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone Openeye Name: [6-(isopentylamino)pyridin-1-ium-3-yl]-[4-(3-pyridyloxy)-1-piperidyl]methanone CAS Name: [6-(3-methylbutylamino)-3-pyridin-1-iumyl]-[4-(3-pyridinyloxy)-1-piperidinyl]methanone IUPAC Name: [6-(3-methylbutylamino)pyridin-1-ium-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone Traditional Name: [6-(isoamylamino)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)CCNC1=[NH+]C=C(C=C1)C(=O)N2CCC(CC2)OC3=CN=CC=C3

Isomeric SMILES

CC(C)CCNC1=[NH+]C=C(C=C1)C(=O)N2CCC(CC2)OC3=CN=CC=C3

InChI

InChI=1S/C21H28N4O2/c1-16(2)7-11-23-20-6-5-17(14-24-20)21(26)25-12-8-18(9-13-25)27-19-4-3-10-22-15-19/h3-6,10,14-16,18H,7-9,11-13H2,1-2H3,(H,23,24)/p+1