3-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-1H-indole

Systemtic Name: 3-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-1H-indole CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-1H-indole Traditional Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-1H-indole Formula: C26H28N3+ MolecularWeight: 382.52062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3/c1-3-9-21(10-4-1)26(22-11-5-2-6-12-22)29-17-15-28(16-18-29)20-23-19-27-25-14-8-7-13-24(23)25/h1-14,19,26-27H,15-18,20H2/p+1