1,3-diphenyl-2-[(1,4,4-trimethylpiperazine-1,4-diium-1-yl)methyl]heptan-3-ol

Systemtic Name: 1,3-diphenyl-2-[(1,4,4-trimethylpiperazine-1,4-diium-1-yl)methyl]heptan-3-ol Openeye Name: 1,3-diphenyl-2-[(1,4,4-trimethylpiperazine-1,4-diium-1-yl)methyl]heptan-3-ol CAS Name: 1,3-diphenyl-2-[(1,4,4-trimethyl-1-piperazine-1,4-diiumyl)methyl]-3-heptanol IUPAC Name: 1,3-diphenyl-2-[(1,4,4-trimethylpiperazine-1,4-diium-1-yl)methyl]heptan-3-ol Traditional Name: 1,3-diphenyl-2-[(1,4,4-trimethylpiperazine-1,4-diium-1-yl)methyl]heptan-3-ol Formula: C27H42N2O+2 MolecularWeight: 410.63518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC=C1)(C(CC2=CC=CC=C2)C[N+]3(CC[N+](CC3)(C)C)C)O

Isomeric SMILES

CCCCC(C1=CC=CC=C1)(C(CC2=CC=CC=C2)C[N+]3(CC[N+](CC3)(C)C)C)O

InChI

InChI=1S/C27H42N2O/c1-5-6-17-27(30,25-15-11-8-12-16-25)26(22-24-13-9-7-10-14-24)23-29(4)20-18-28(2,3)19-21-29/h7-16,26,30H,5-6,17-23H2,1-4H3/q+2