3-[3-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]propyl]-1H-indole

Systemtic Name: 3-[3-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]propyl]-1H-indole Openeye Name: 3-[3-(4-benzhydrylpiperazine-1,4-diium-1-yl)propyl]-1H-indole CAS Name: 3-[3-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]propyl]-1H-indole IUPAC Name: 3-[3-(4-benzhydrylpiperazine-1,4-diium-1-yl)propyl]-1H-indole Traditional Name: 3-[3-(4-benzhydrylpiperazine-1,4-diium-1-yl)propyl]-1H-indole Formula: C28H33N3+2 MolecularWeight: 411.58172

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCCC2=CNC3=CC=CC=C32)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC[NH+]1CCCC2=CNC3=CC=CC=C32)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3/c1-3-10-23(11-4-1)28(24-12-5-2-6-13-24)31-20-18-30(19-21-31)17-9-14-25-22-29-27-16-8-7-15-26(25)27/h1-8,10-13,15-16,22,28-29H,9,14,17-21H2/p+2