(2S)-N-methyl-N-phenyl-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: (2S)-N-methyl-N-phenyl-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2S)-N-methyl-N-phenyl-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-methyl-N-phenyl-2-[[4-phenyl-5-(1-piperidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2S)-N-methyl-N-phenyl-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: (2S)-N-methyl-N-phenyl-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C24H30N5OS+ MolecularWeight: 436.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCCCC4

Isomeric SMILES

C[C@@H](C(=O)N(C)C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C24H29N5OS/c1-19(23(30)27(2)20-12-6-3-7-13-20)31-24-26-25-22(18-28-16-10-5-11-17-28)29(24)21-14-8-4-9-15-21/h3-4,6-9,12-15,19H,5,10-11,16-18H2,1-2H3/p+1/t19-/m0/s1