3-[3-(benzotriazol-1-yl)propyl]-6-chloranyl-3-piperidin-4-yl-1H-benzimidazol-3-ium-2-one

Systemtic Name: 3-[3-(benzotriazol-1-yl)propyl]-6-chloranyl-3-piperidin-4-yl-1H-benzimidazol-3-ium-2-one Openeye Name: 3-[3-(benzotriazol-1-yl)propyl]-6-chloro-3-(4-piperidyl)-1H-benzimidazol-3-ium-2-one CAS Name: 3-[3-(1-benzotriazolyl)propyl]-6-chloro-3-(4-piperidinyl)-1H-benzimidazol-3-ium-2-one IUPAC Name: 3-[3-(benzotriazol-1-yl)propyl]-6-chloro-3-piperidin-4-yl-1H-benzimidazol-3-ium-2-one Traditional Name: 3-[3-(benzotriazol-1-yl)propyl]-6-chloro-3-(4-piperidyl)-1H-benzimidazol-3-ium-2-one Formula: C21H24ClN6O+ MolecularWeight: 411.90786

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1[N+]2(C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CNCCC1[N+]2(C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H23ClN6O/c22-15-6-7-20-18(14-15)24-21(29)28(20,16-8-10-23-11-9-16)13-3-12-27-19-5-2-1-4-17(19)25-26-27/h1-2,4-7,14,16,23H,3,8-13H2/p+1