[6-(tert-butylamino)pyridin-1-ium-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone

Systemtic Name: [6-(tert-butylamino)pyridin-1-ium-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone Openeye Name: [6-(tert-butylamino)pyridin-1-ium-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)-1-piperidyl]methanone CAS Name: [6-(tert-butylamino)-3-pyridin-1-iumyl]-[(3R)-3-(1-imidazolylmethyl)-1-piperidinyl]methanone IUPAC Name: [6-(tert-butylamino)pyridin-1-ium-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone Traditional Name: [6-(tert-butylamino)pyridin-1-ium-3-yl]-[(3R)-3-(imidazol-1-ylmethyl)piperidino]methanone Formula: C19H28N5O+ MolecularWeight: 342.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=[NH+]C=C(C=C1)C(=O)N2CCCC(C2)CN3C=CN=C3

Isomeric SMILES

CC(C)(C)NC1=[NH+]C=C(C=C1)C(=O)N2CCC[C@@H](C2)CN3C=CN=C3

InChI

InChI=1S/C19H27N5O/c1-19(2,3)22-17-7-6-16(11-21-17)18(25)24-9-4-5-15(13-24)12-23-10-8-20-14-23/h6-8,10-11,14-15H,4-5,9,12-13H2,1-3H3,(H,21,22)/p+1/t15-/m1/s1