1-(2-azanylethyl)-4-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-1-ium-2-amine hydrate tetrahydrochloride

Systemtic Name: 1-(2-azanylethyl)-4-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-1-ium-2-amine hydrate tetrahydrochloride Openeye Name: 1-(2-aminoethyl)-4-(4-piperidyl)-1-(2-quinolylmethyl)benzimidazol-1-ium-2-amine hydrate tetrahydrochloride CAS Name: 1-(2-aminoethyl)-4-(4-piperidinyl)-1-(2-quinolinylmethyl)-2-benzimidazol-1-iumamine hydrate tetrahydrochloride IUPAC Name: 1-(2-aminoethyl)-4-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-1-ium-2-amine hydrate tetrahydrochloride Traditional Name: [1-(2-aminoethyl)-4-(4-piperidyl)-1-(2-quinolylmethyl)benzimidazol-1-ium-2-yl]amine hydrate tetrahydrochloride Formula: C24H35Cl4N6O+ MolecularWeight: 565.3863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=C3C(=CC=C2)[N+](C(=N3)N)(CCN)CC4=NC5=CC=CC=C5C=C4.O.Cl.Cl.Cl.Cl

Isomeric SMILES

C1CNCCC1C2=C3C(=CC=C2)[N+](C(=N3)N)(CCN)CC4=NC5=CC=CC=C5C=C4.O.Cl.Cl.Cl.Cl

InChI

InChI=1S/C24H29N6.4ClH.H2O/c25-12-15-30(16-19-9-8-18-4-1-2-6-21(18)28-19)22-7-3-5-20(23(22)29-24(30)26)17-10-13-27-14-11-17;;;;;/h1-9,17,27H,10-16,25H2,(H2,26,29);4*1H;1H2/q+1;;;;;