[6-[[(2S)-3-methylbutan-2-yl]amino]pyridin-1-ium-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

Systemtic Name: [6-[[(2S)-3-methylbutan-2-yl]amino]pyridin-1-ium-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone Openeye Name: [6-[[(1S)-1,2-dimethylpropyl]amino]pyridin-1-ium-3-yl]-[4-(3-pyridyloxy)-1-piperidyl]methanone CAS Name: [6-[[(2S)-3-methylbutan-2-yl]amino]-3-pyridin-1-iumyl]-[4-(3-pyridinyloxy)-1-piperidinyl]methanone IUPAC Name: [6-[[(2S)-3-methylbutan-2-yl]amino]pyridin-1-ium-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone Traditional Name: [6-[[(1S)-1,2-dimethylpropyl]amino]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(C)NC1=[NH+]C=C(C=C1)C(=O)N2CCC(CC2)OC3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2/c1-15(2)16(3)24-20-7-6-17(13-23-20)21(26)25-11-8-18(9-12-25)27-19-5-4-10-22-14-19/h4-7,10,13-16,18H,8-9,11-12H2,1-3H3,(H,23,24)/p+1/t16-/m0/s1