(2R)-2-(benzotriazol-1-yl)-1-phenyl-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: (2R)-2-(benzotriazol-1-yl)-1-phenyl-2-piperidin-1-ium-1-yl-ethanone Openeye Name: (2R)-2-(benzotriazol-1-yl)-1-phenyl-2-piperidin-1-ium-1-yl-ethanone CAS Name: (2R)-2-(1-benzotriazolyl)-1-phenyl-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: (2R)-2-(benzotriazol-1-yl)-1-phenyl-2-piperidin-1-ium-1-ylethanone Traditional Name: (2R)-2-(benzotriazol-1-yl)-1-phenyl-2-piperidin-1-ium-1-yl-ethanone Formula: C19H21N4O+ MolecularWeight: 321.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C(=O)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](C(=O)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H20N4O/c24-18(15-9-3-1-4-10-15)19(22-13-7-2-8-14-22)23-17-12-6-5-11-16(17)20-21-23/h1,3-6,9-12,19H,2,7-8,13-14H2/p+1/t19-/m1/s1