1-(3-chloranyl-5,6,7,8-tetrahydroquinoxalin-5-yl)-4-piperidin-1-yl-benzimidazol-2-amine hydrate trihydrochloride

Systemtic Name: 1-(3-chloranyl-5,6,7,8-tetrahydroquinoxalin-5-yl)-4-piperidin-1-yl-benzimidazol-2-amine hydrate trihydrochloride Openeye Name: 1-(3-chloro-5,6,7,8-tetrahydroquinoxalin-5-yl)-4-(1-piperidyl)benzimidazol-2-amine hydrate trihydrochloride CAS Name: 1-(3-chloro-5,6,7,8-tetrahydroquinoxalin-5-yl)-4-(1-piperidinyl)-2-benzimidazolamine hydrate trihydrochloride IUPAC Name: 1-(3-chloro-5,6,7,8-tetrahydroquinoxalin-5-yl)-4-piperidin-1-ylbenzimidazol-2-amine hydrate trihydrochloride Traditional Name: [1-(3-chloro-5,6,7,8-tetrahydroquinoxalin-5-yl)-4-piperidino-benzimidazol-2-yl]amine hydrate trihydrochloride Formula: C20H28Cl4N6O MolecularWeight: 510.28792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC3=C2N=C(N3C4CCCC5=NC=C(N=C45)Cl)N.O.Cl.Cl.Cl

Isomeric SMILES

C1CCN(CC1)C2=CC=CC3=C2N=C(N3C4CCCC5=NC=C(N=C45)Cl)N.O.Cl.Cl.Cl

InChI

InChI=1S/C20H23ClN6.3ClH.H2O/c21-17-12-23-13-6-4-8-15(18(13)24-17)27-16-9-5-7-14(19(16)25-20(27)22)26-10-2-1-3-11-26;;;;/h5,7,9,12,15H,1-4,6,8,10-11H2,(H2,22,25);3*1H;1H2