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

Systemtic Name: 3-[3-cyclopropyl-1-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-cyclopropyl-1-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-5-thioxo-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-cyclopropyl-1-[(4-phenethyl-1-piperidin-1-iumyl)methyl]-5-sulfanylidene-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-cyclopropyl-1-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-cyclopropyl-1-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-5-thioxo-1,2,4-triazol-4-yl]propionamide Formula: C22H32N5OS+ MolecularWeight: 414.58738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=S)N2CCC(=O)N)C[NH+]3CCC(CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN(C(=S)N2CCC(=O)N)C[NH+]3CCC(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H31N5OS/c23-20(28)12-15-26-21(19-8-9-19)24-27(22(26)29)16-25-13-10-18(11-14-25)7-6-17-4-2-1-3-5-17/h1-5,18-19H,6-16H2,(H2,23,28)/p+1