2-[8-chloranyl-1-(1-pyridin-2-ylpiperidin-4-yl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-5-yl]-N,N-dimethyl-ethanamine trihydrochloride

Systemtic Name: 2-[8-chloranyl-1-(1-pyridin-2-ylpiperidin-4-yl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-5-yl]-N,N-dimethyl-ethanamine trihydrochloride Openeye Name: 2-[8-chloro-1-[1-(2-pyridyl)-4-piperidyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-5-yl]-N,N-dimethyl-ethanamine trihydrochloride CAS Name: 2-[8-chloro-1-[1-(2-pyridinyl)-4-piperidinyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-5-yl]-N,N-dimethylethanamine trihydrochloride IUPAC Name: 2-[8-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-5-yl]-N,N-dimethylethanamine trihydrochloride Traditional Name: 2-[8-chloro-1-[1-(2-pyridyl)-4-piperidyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-ium-5-yl]ethyl-dimethyl-amine trihydrochloride Formula: C24H32Cl4N7+ MolecularWeight: 560.36978

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[N+]1=CC2=C(C=CC(=C2)Cl)N3C(=NN=C3C4CCN(CC4)C5=CC=CC=N5)C1.Cl.Cl.Cl

Isomeric SMILES

CN(C)CC[N+]1=CC2=C(C=CC(=C2)Cl)N3C(=NN=C3C4CCN(CC4)C5=CC=CC=N5)C1.Cl.Cl.Cl

InChI

InChI=1S/C24H29ClN7.3ClH/c1-29(2)13-14-30-16-19-15-20(25)6-7-21(19)32-23(17-30)27-28-24(32)18-8-11-31(12-9-18)22-5-3-4-10-26-22;;;/h3-7,10,15-16,18H,8-9,11-14,17H2,1-2H3;3*1H/q+1;;;