2-[2-[2-oxidanylidene-3-(1-phenylcycloheptyl)-1-piperidin-4-yl-benzimidazol-1-ium-1-yl]ethyl]guanidine dihydrochloride

Systemtic Name: 2-[2-[2-oxidanylidene-3-(1-phenylcycloheptyl)-1-piperidin-4-yl-benzimidazol-1-ium-1-yl]ethyl]guanidine dihydrochloride Openeye Name: 2-[2-[2-oxo-3-(1-phenylcycloheptyl)-1-(4-piperidyl)benzimidazol-1-ium-1-yl]ethyl]guanidine dihydrochloride CAS Name: 2-[2-[2-oxo-3-(1-phenylcycloheptyl)-1-(4-piperidinyl)-1-benzimidazol-1-iumyl]ethyl]guanidine dihydrochloride IUPAC Name: 2-[2-[2-oxo-3-(1-phenylcycloheptyl)-1-piperidin-4-ylbenzimidazol-1-ium-1-yl]ethyl]guanidine dihydrochloride Traditional Name: 2-[2-[2-keto-3-(1-phenylcycloheptyl)-1-(4-piperidyl)benzimidazol-1-ium-1-yl]ethyl]guanidine dihydrochloride Formula: C28H41Cl2N6O+ MolecularWeight: 548.57074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C2=CC=CC=C2)N3C4=CC=CC=C4[N+](C3=O)(CCN=C(N)N)C5CCNCC5.Cl.Cl

Isomeric SMILES

C1CCCC(CC1)(C2=CC=CC=C2)N3C4=CC=CC=C4[N+](C3=O)(CCN=C(N)N)C5CCNCC5.Cl.Cl

InChI

InChI=1S/C28H39N6O.2ClH/c29-26(30)32-20-21-34(23-14-18-31-19-15-23)25-13-7-6-12-24(25)33(27(34)35)28(16-8-1-2-9-17-28)22-10-4-3-5-11-22;;/h3-7,10-13,23,31H,1-2,8-9,14-21H2,(H4,29,30,32);2*1H/q+1;;