5-nitro-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]imidazo[2,1-b][1,3]thiazol-6-amine

Systemtic Name: 5-nitro-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]imidazo[2,1-b][1,3]thiazol-6-amine Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-nitro-imidazo[2,1-b]thiazol-6-amine CAS Name: 5-nitro-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-6-imidazo[2,1-b]thiazolamine IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(5-nitroimidazo[2,1-b]thiazol-6-yl)amine Formula: C17H20N5O2S+ MolecularWeight: 358.438

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=C(N3C=CSC3=N2)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC2=C(N3C=CSC3=N2)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C17H19N5O2S/c23-22(24)16-15(19-17-21(16)10-11-25-17)18-14-6-8-20(9-7-14)12-13-4-2-1-3-5-13/h1-5,10-11,14,18H,6-9,12H2/p+1