2-[4-[2-(diphenylmethyl)oxyethyl]piperazin-1-yl]propanamide trihydrate tetrahydrochloride

Systemtic Name: 2-[4-[2-(diphenylmethyl)oxyethyl]piperazin-1-yl]propanamide trihydrate tetrahydrochloride Openeye Name: 2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propanamide trihydrate tetrahydrochloride CAS Name: 2-[4-[2-(diphenylmethyl)oxyethyl]-1-piperazinyl]propanamide trihydrate tetrahydrochloride IUPAC Name: 2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propanamide trihydrate tetrahydrochloride Traditional Name: 2-[4-(2-benzhydryloxyethyl)piperazino]propionamide trihydrate tetrahydrochloride Formula: C44H68Cl4N6O7 MolecularWeight: 934.85872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)N1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3.CC(C(=O)N)N1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3.O.O.O.Cl.Cl.Cl.Cl

Isomeric SMILES

CC(C(=O)N)N1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3.CC(C(=O)N)N1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3.O.O.O.Cl.Cl.Cl.Cl

InChI

InChI=1S/2C22H29N3O2.4ClH.3H2O/c2*1-18(22(23)26)25-14-12-24(13-15-25)16-17-27-21(19-8-4-2-5-9-19)20-10-6-3-7-11-20;;;;;;;/h2*2-11,18,21H,12-17H2,1H3,(H2,23,26);4*1H;3*1H2