3-[3-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]indol-1-yl]propionitrile Formula: C23H25N4O+ MolecularWeight: 373.4708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CN(C3=CC=CC=C32)CCC#N)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CN(C3=CC=CC=C32)CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O/c24-11-6-12-27-17-21(20-9-4-5-10-22(20)27)23(28)18-25-13-15-26(16-14-25)19-7-2-1-3-8-19/h1-5,7-10,17H,6,12-16,18H2/p+1