3-[3-[4-[bis(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]propyl]-1H-indole

Systemtic Name: 3-[3-[4-[bis(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]propyl]-1H-indole Openeye Name: 3-[3-[4-[bis(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]propyl]-1H-indole CAS Name: 3-[3-[4-[bis(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]propyl]-1H-indole IUPAC Name: 3-[3-[4-[bis(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]propyl]-1H-indole Traditional Name: 3-[3-[4-[bis(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]propyl]-1H-indole Formula: C28H30Cl2N3+ MolecularWeight: 479.4639

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CNC3=CC=CC=C32)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CNC3=CC=CC=C32)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H29Cl2N3/c29-24-11-7-21(8-12-24)28(22-9-13-25(30)14-10-22)33-18-16-32(17-19-33)15-3-4-23-20-31-27-6-2-1-5-26(23)27/h1-2,5-14,20,28,31H,3-4,15-19H2/p+1