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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC[N+]2=NN(C(=C2C(=O)NC3=CC=CC=C3)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CC[N+]2=NN(C(=C2C(=O)NC3=CC=CC=C3)[O-])C4=CC=CC=C4

InChI

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