3-[3-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]iminomethyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]iminomethyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[(4-benzhydrylpiperazin-4-ium-1-yl)iminomethyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]iminomethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[(4-benzhydrylpiperazin-4-ium-1-yl)iminomethyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[(4-benzhydrylpiperazin-4-ium-1-yl)iminomethyl]indol-1-yl]propionitrile Formula: C29H30N5+ MolecularWeight: 448.582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)N=CC4=CN(C5=CC=CC=C54)CCC#N

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)N=CC4=CN(C5=CC=CC=C54)CCC#N

InChI

InChI=1S/C29H29N5/c30-16-9-17-33-23-26(27-14-7-8-15-28(27)33)22-31-34-20-18-32(19-21-34)29(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-8,10-15,22-23,29H,9,17-21H2/p+1