3-[3-(furan-2-yl)-1-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-(furan-2-yl)-1-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-(2-furyl)-1-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-5-thioxo-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(2-furanyl)-1-[(4-phenethyl-1-piperidin-1-iumyl)methyl]-5-sulfanylidene-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-(furan-2-yl)-1-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-(2-furyl)-1-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-5-thioxo-1,2,4-triazol-4-yl]propionamide Formula: C23H30N5O2S+ MolecularWeight: 440.5816

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CO4)CCC(=O)N

Isomeric SMILES

C1C[NH+](CCC1CCC2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CO4)CCC(=O)N

InChI

InChI=1S/C23H29N5O2S/c24-21(29)12-15-27-22(20-7-4-16-30-20)25-28(23(27)31)17-26-13-10-19(11-14-26)9-8-18-5-2-1-3-6-18/h1-7,16,19H,8-15,17H2,(H2,24,29)/p+1