1-[(5-butyl-3-methyl-furan-2-yl)methyl]-4-(diphenylmethyl)piperazine dihydrochloride

Systemtic Name: 1-[(5-butyl-3-methyl-furan-2-yl)methyl]-4-(diphenylmethyl)piperazine dihydrochloride Openeye Name: 1-benzhydryl-4-[(5-butyl-3-methyl-2-furyl)methyl]piperazine dihydrochloride CAS Name: 1-[(5-butyl-3-methyl-2-furanyl)methyl]-4-(diphenylmethyl)piperazine dihydrochloride IUPAC Name: 1-benzhydryl-4-[(5-butyl-3-methylfuran-2-yl)methyl]piperazine dihydrochloride Traditional Name: 1-benzhydryl-4-[(5-butyl-3-methyl-2-furyl)methyl]piperazine dihydrochloride Formula: C27H36Cl2N2O MolecularWeight: 475.49354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(O1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C.Cl.Cl

Isomeric SMILES

CCCCC1=CC(=C(O1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C.Cl.Cl

InChI

InChI=1S/C27H34N2O.2ClH/c1-3-4-15-25-20-22(2)26(30-25)21-28-16-18-29(19-17-28)27(23-11-7-5-8-12-23)24-13-9-6-10-14-24;;/h5-14,20,27H,3-4,15-19,21H2,1-2H3;2*1H