2-[3,3-bis(4-nitrophenyl)propyl]-1-(2-methoxyphenyl)piperazine dihydrochloride

Systemtic Name: 2-[3,3-bis(4-nitrophenyl)propyl]-1-(2-methoxyphenyl)piperazine dihydrochloride Openeye Name: 2-[3,3-bis(4-nitrophenyl)propyl]-1-(2-methoxyphenyl)piperazine dihydrochloride CAS Name: 2-[3,3-bis(4-nitrophenyl)propyl]-1-(2-methoxyphenyl)piperazine dihydrochloride IUPAC Name: 2-[3,3-bis(4-nitrophenyl)propyl]-1-(2-methoxyphenyl)piperazine dihydrochloride Traditional Name: 2-[3,3-bis(4-nitrophenyl)propyl]-1-(2-methoxyphenyl)piperazine dihydrochloride Formula: C26H30Cl2N4O5 MolecularWeight: 549.4462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCNCC2CCC(C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCNCC2CCC(C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C26H28N4O5.2ClH/c1-35-26-5-3-2-4-25(26)28-17-16-27-18-23(28)14-15-24(19-6-10-21(11-7-19)29(31)32)20-8-12-22(13-9-20)30(33)34;;/h2-13,23-24,27H,14-18H2,1H3;2*1H