2-[2-oxidanylidene-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indol-3-ylidene]propanedinitrile

Systemtic Name: 2-[2-oxidanylidene-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indol-3-ylidene]propanedinitrile Openeye Name: 2-[2-oxo-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indolin-3-ylidene]propanedinitrile CAS Name: 2-[2-oxo-1-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3-indolylidene]propanedinitrile IUPAC Name: 2-[2-oxo-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indol-3-ylidene]propanedinitrile Traditional Name: 2-[2-keto-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indolin-3-ylidene]malononitrile Formula: C22H20N5O+ MolecularWeight: 370.4271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3C(=C(C#N)C#N)C2=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3C(=C(C#N)C#N)C2=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19N5O/c23-14-17(15-24)21-19-8-4-5-9-20(19)27(22(21)28)16-25-10-12-26(13-11-25)18-6-2-1-3-7-18/h1-9H,10-13,16H2/p+1