4-nitro-N-[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-nitro-N-[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-nitro-N-[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-nitro-N-[5-[2-(1-piperidin-1-iumyl)ethyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-nitro-N-[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-nitro-N-[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C16H20N5O3S+ MolecularWeight: 362.4267

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O3S/c22-15(12-4-6-13(7-5-12)21(23)24)17-16-19-18-14(25-16)8-11-20-9-2-1-3-10-20/h4-7H,1-3,8-11H2,(H,17,19,22)/p+1