1-[[2,5-diphenyl-4-(piperidin-1-ylmethyl)-1H-pyrrol-3-yl]methyl]piperidine dihydrate dihydrochloride

Systemtic Name: 1-[[2,5-diphenyl-4-(piperidin-1-ylmethyl)-1H-pyrrol-3-yl]methyl]piperidine dihydrate dihydrochloride Openeye Name: 1-[[2,5-diphenyl-4-(1-piperidylmethyl)-1H-pyrrol-3-yl]methyl]piperidine dihydrate dihydrochloride CAS Name: 1-[[2,5-diphenyl-4-(1-piperidinylmethyl)-1H-pyrrol-3-yl]methyl]piperidine dihydrate dihydrochloride IUPAC Name: 1-[[2,5-diphenyl-4-(piperidin-1-ylmethyl)-1H-pyrrol-3-yl]methyl]piperidine dihydrate dihydrochloride Traditional Name: 1-[[2,5-diphenyl-4-(piperidinomethyl)-1H-pyrrol-3-yl]methyl]piperidine dihydrate dihydrochloride Formula: C28H41Cl2N3O2 MolecularWeight: 522.55004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C(NC(=C2CN3CCCCC3)C4=CC=CC=C4)C5=CC=CC=C5.O.O.Cl.Cl

Isomeric SMILES

C1CCN(CC1)CC2=C(NC(=C2CN3CCCCC3)C4=CC=CC=C4)C5=CC=CC=C5.O.O.Cl.Cl

InChI

InChI=1S/C28H35N3.2ClH.2H2O/c1-5-13-23(14-6-1)27-25(21-30-17-9-3-10-18-30)26(22-31-19-11-4-12-20-31)28(29-27)24-15-7-2-8-16-24;;;;/h1-2,5-8,13-16,29H,3-4,9-12,17-22H2;2*1H;2*1H2