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

Systemtic Name: 1-[(1S,2S)-2-(benzotriazol-1-yl)-1-piperidin-1-ium-1-yl-2-piperidin-1-yl-ethyl]benzotriazole Openeye Name: 1-[(1S,2S)-2-(benzotriazol-1-yl)-1-piperidin-1-ium-1-yl-2-(1-piperidyl)ethyl]benzotriazole CAS Name: 1-[(1S,2S)-2-(1-benzotriazolyl)-1-(1-piperidin-1-iumyl)-2-(1-piperidinyl)ethyl]benzotriazole IUPAC Name: 1-[(1S,2S)-2-(benzotriazol-1-yl)-1-piperidin-1-ium-1-yl-2-piperidin-1-ylethyl]benzotriazole Traditional Name: 1-[(1S,2S)-2-(benzotriazol-1-yl)-1-piperidin-1-ium-1-yl-2-piperidino-ethyl]benzotriazole Formula: C24H31N8+ MolecularWeight: 431.55654

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C(N2CCCCC2)N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CC[NH+](CC1)[C@H]([C@@H](N2CCCCC2)N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C24H30N8/c1-7-15-29(16-8-1)23(31-21-13-5-3-11-19(21)25-27-31)24(30-17-9-2-10-18-30)32-22-14-6-4-12-20(22)26-28-32/h3-6,11-14,23-24H,1-2,7-10,15-18H2/p+1/t23-,24-/m0/s1