1-[(1S)-2,2-diethoxy-1-piperidin-1-ium-1-yl-ethyl]benzotriazole

Systemtic Name: 1-[(1S)-2,2-diethoxy-1-piperidin-1-ium-1-yl-ethyl]benzotriazole Openeye Name: 1-[(1S)-2,2-diethoxy-1-piperidin-1-ium-1-yl-ethyl]benzotriazole CAS Name: 1-[(1S)-2,2-diethoxy-1-(1-piperidin-1-iumyl)ethyl]benzotriazole IUPAC Name: 1-[(1S)-2,2-diethoxy-1-piperidin-1-ium-1-ylethyl]benzotriazole Traditional Name: 1-[(1S)-2,2-diethoxy-1-piperidin-1-ium-1-yl-ethyl]benzotriazole Formula: C17H27N4O2+ MolecularWeight: 319.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C([NH+]1CCCCC1)N2C3=CC=CC=C3N=N2)OCC

Isomeric SMILES

CCOC([C@@H]([NH+]1CCCCC1)N2C3=CC=CC=C3N=N2)OCC

InChI

InChI=1S/C17H26N4O2/c1-3-22-17(23-4-2)16(20-12-8-5-9-13-20)21-15-11-7-6-10-14(15)18-19-21/h6-7,10-11,16-17H,3-5,8-9,12-13H2,1-2H3/p+1/t16-/m0/s1