2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N,N-diphenyl-ethanamide

Systemtic Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N,N-diphenyl-ethanamide Openeye Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N,N-diphenyl-acetamide CAS Name: 2-[4-(1-benzotriazolyl)-1-piperidin-1-iumyl]-N,N-diphenylacetamide IUPAC Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N,N-diphenylacetamide Traditional Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N,N-diphenyl-acetamide Formula: C25H26N5O+ MolecularWeight: 412.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=CC=CC=C3N=N2)CC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1N2C3=CC=CC=C3N=N2)CC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O/c31-25(29(20-9-3-1-4-10-20)21-11-5-2-6-12-21)19-28-17-15-22(16-18-28)30-24-14-8-7-13-23(24)26-27-30/h1-14,22H,15-19H2/p+1