3-[2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-indole

Systemtic Name: 3-[2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-indole Openeye Name: 3-[2-(4-benzhydrylpiperazine-1,4-diium-1-yl)ethyl]-1H-indole CAS Name: 3-[2-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]ethyl]-1H-indole IUPAC Name: 3-[2-(4-benzhydrylpiperazine-1,4-diium-1-yl)ethyl]-1H-indole Traditional Name: 3-[2-(4-benzhydrylpiperazine-1,4-diium-1-yl)ethyl]-1H-indole Formula: C27H31N3+2 MolecularWeight: 397.55514

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCC2=CNC3=CC=CC=C32)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC[NH+]1CCC2=CNC3=CC=CC=C32)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3/c1-3-9-22(10-4-1)27(23-11-5-2-6-12-23)30-19-17-29(18-20-30)16-15-24-21-28-26-14-8-7-13-25(24)26/h1-14,21,27-28H,15-20H2/p+2