3-phenyl-5-(phenylcarbamoyl)-1-(2-piperidin-4-ylethyl)-1,2,3-triazol-1-ium-4-olate

Systemtic Name: 3-phenyl-5-(phenylcarbamoyl)-1-(2-piperidin-4-ylethyl)-1,2,3-triazol-1-ium-4-olate Openeye Name: 3-phenyl-5-(phenylcarbamoyl)-1-[2-(4-piperidyl)ethyl]triazol-1-ium-4-olate CAS Name: 5-[anilino(oxo)methyl]-3-phenyl-1-[2-(4-piperidinyl)ethyl]-4-triazol-1-iumolate IUPAC Name: 3-phenyl-5-(phenylcarbamoyl)-1-(2-piperidin-4-ylethyl)triazol-1-ium-4-olate Traditional Name: 3-phenyl-5-(phenylcarbamoyl)-1-[2-(4-piperidyl)ethyl]triazol-1-ium-4-olate Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC[N+]2=NN(C(=C2C(=O)NC3=CC=CC=C3)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CNCCC1CC[N+]2=NN(C(=C2C(=O)NC3=CC=CC=C3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2/c28-21(24-18-7-3-1-4-8-18)20-22(29)27(19-9-5-2-6-10-19)25-26(20)16-13-17-11-14-23-15-12-17/h1-10,17,23H,11-16H2,(H-,24,25,28,29)