2-[2-oxidanylidene-1-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]indol-3-ylidene]propanedinitrile

Systemtic Name: 2-[2-oxidanylidene-1-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]indol-3-ylidene]propanedinitrile Openeye Name: 2-[1-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-oxo-indolin-3-ylidene]propanedinitrile CAS Name: 2-[2-oxo-1-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-3-indolylidene]propanedinitrile IUPAC Name: 2-[1-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-oxoindol-3-ylidene]propanedinitrile Traditional Name: 2-[1-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-keto-indolin-3-ylidene]malononitrile Formula: C23H23N5O+2 MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CN3C4=CC=CC=C4C(=C(C#N)C#N)C3=O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CN3C4=CC=CC=C4C(=C(C#N)C#N)C3=O

InChI

InChI=1S/C23H21N5O/c24-14-19(15-25)22-20-8-4-5-9-21(20)28(23(22)29)17-27-12-10-26(11-13-27)16-18-6-2-1-3-7-18/h1-9H,10-13,16-17H2/p+2