1-(2-oxidanyl-3-piperidin-1-ium-1-yl-propyl)-3-phenyl-5-(phenylcarbamoyl)-1,2,3-triazol-1-ium-4-olate

Systemtic Name: 1-(2-oxidanyl-3-piperidin-1-ium-1-yl-propyl)-3-phenyl-5-(phenylcarbamoyl)-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-(2-hydroxy-3-piperidin-1-ium-1-yl-propyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate CAS Name: 5-[anilino(oxo)methyl]-1-[2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-3-phenyl-4-triazol-1-iumolate IUPAC Name: 1-(2-hydroxy-3-piperidin-1-ium-1-ylpropyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate Traditional Name: 1-(2-hydroxy-3-piperidin-1-ium-1-yl-propyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate Formula: C23H28N5O3+ MolecularWeight: 422.50012

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(C[N+]2=NN(C(=C2C(=O)NC3=CC=CC=C3)[O-])C4=CC=CC=C4)O

Isomeric SMILES

C1CC[NH+](CC1)CC(C[N+]2=NN(C(=C2C(=O)NC3=CC=CC=C3)[O-])C4=CC=CC=C4)O

InChI

InChI=1S/C23H27N5O3/c29-20(16-26-14-8-3-9-15-26)17-27-21(22(30)24-18-10-4-1-5-11-18)23(31)28(25-27)19-12-6-2-7-13-19/h1-2,4-7,10-13,20,29H,3,8-9,14-17H2,(H-,24,25,30,31)/p+1