1-[(2R,6S)-6-(benzotriazol-1-yl)-1-(3-phenylpropyl)piperidin-1-ium-2-yl]benzotriazole

Systemtic Name: 1-[(2R,6S)-6-(benzotriazol-1-yl)-1-(3-phenylpropyl)piperidin-1-ium-2-yl]benzotriazole Openeye Name: 1-[(2R,6S)-6-(benzotriazol-1-yl)-1-(3-phenylpropyl)piperidin-1-ium-2-yl]benzotriazole CAS Name: 1-[(2R,6S)-6-(1-benzotriazolyl)-1-(3-phenylpropyl)-2-piperidin-1-iumyl]benzotriazole IUPAC Name: 1-[(2R,6S)-6-(benzotriazol-1-yl)-1-(3-phenylpropyl)piperidin-1-ium-2-yl]benzotriazole Traditional Name: 1-[(2R,6S)-6-(benzotriazol-1-yl)-1-(3-phenylpropyl)piperidin-1-ium-2-yl]benzotriazole Formula: C26H28N7+ MolecularWeight: 438.54742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C(C1)N2C3=CC=CC=C3N=N2)CCCC4=CC=CC=C4)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1C[C@H]([NH+]([C@H](C1)N2C3=CC=CC=C3N=N2)CCCC4=CC=CC=C4)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C26H27N7/c1-2-10-20(11-3-1)12-9-19-31-25(32-23-15-6-4-13-21(23)27-29-32)17-8-18-26(31)33-24-16-7-5-14-22(24)28-30-33/h1-7,10-11,13-16,25-26H,8-9,12,17-19H2/p+1/t25-,26+