1-[(2S,6S)-6-(benzotriazol-1-yl)-1-(phenylmethyl)piperidin-1-ium-2-yl]benzotriazole

Systemtic Name: 1-[(2S,6S)-6-(benzotriazol-1-yl)-1-(phenylmethyl)piperidin-1-ium-2-yl]benzotriazole Openeye Name: 1-[(2S,6S)-6-(benzotriazol-1-yl)-1-benzyl-piperidin-1-ium-2-yl]benzotriazole CAS Name: 1-[(2S,6S)-6-(1-benzotriazolyl)-1-(phenylmethyl)-2-piperidin-1-iumyl]benzotriazole IUPAC Name: 1-[(2S,6S)-6-(benzotriazol-1-yl)-1-benzylpiperidin-1-ium-2-yl]benzotriazole Traditional Name: 1-[(2S,6S)-6-(benzotriazol-1-yl)-1-benzyl-piperidin-1-ium-2-yl]benzotriazole Formula: C24H24N7+ MolecularWeight: 410.49426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C(C1)N2C3=CC=CC=C3N=N2)CC4=CC=CC=C4)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1C[C@@H]([NH+]([C@H](C1)N2C3=CC=CC=C3N=N2)CC4=CC=CC=C4)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C24H23N7/c1-2-9-18(10-3-1)17-29-23(30-21-13-6-4-11-19(21)25-27-30)15-8-16-24(29)31-22-14-7-5-12-20(22)26-28-31/h1-7,9-14,23-24H,8,15-17H2/p+1/t23-,24-/m0/s1