butan-1-amine; 2-ethyl-4-(1-oxidanidyl-2-propyl-pyridin-1-ium-3-yl)-1,3-thiazole

Systemtic Name: butan-1-amine; 2-ethyl-4-(1-oxidanidyl-2-propyl-pyridin-1-ium-3-yl)-1,3-thiazole Openeye Name: butan-1-amine; 2-ethyl-4-(1-oxido-2-propyl-pyridin-1-ium-3-yl)thiazole CAS Name: 1-butanamine; 2-ethyl-4-(1-oxido-2-propyl-3-pyridin-1-iumyl)thiazole IUPAC Name: butan-1-amine; 2-ethyl-4-(1-oxido-2-propylpyridin-1-ium-3-yl)-1,3-thiazole Traditional Name: butylamine; 2-ethyl-4-(1-oxido-2-propyl-pyridin-1-ium-3-yl)thiazole Formula: C17H27N3OS MolecularWeight: 321.48078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN.CCCC1=C(C=CC=[N+]1[O-])C2=CSC(=N2)CC

Isomeric SMILES

CCCCN.CCCC1=C(C=CC=[N+]1[O-])C2=CSC(=N2)CC

InChI

InChI=1S/C13H16N2OS.C4H11N/c1-3-6-12-10(7-5-8-15(12)16)11-9-17-13(4-2)14-11;1-2-3-4-5/h5,7-9H,3-4,6H2,1-2H3;2-5H2,1H3