2-[[4-(cyanomethyl)piperazine-1,4-diium-1-yl]methyl]-1-methyl-indole-3-carbonitrile

Systemtic Name: 2-[[4-(cyanomethyl)piperazine-1,4-diium-1-yl]methyl]-1-methyl-indole-3-carbonitrile Openeye Name: 2-[[4-(cyanomethyl)piperazine-1,4-diium-1-yl]methyl]-1-methyl-indole-3-carbonitrile CAS Name: 2-[[4-(cyanomethyl)-1-piperazine-1,4-diiumyl]methyl]-1-methyl-3-indolecarbonitrile IUPAC Name: 2-[[4-(cyanomethyl)piperazine-1,4-diium-1-yl]methyl]-1-methylindole-3-carbonitrile Traditional Name: 2-[[4-(cyanomethyl)piperazine-1,4-diium-1-yl]methyl]-1-methyl-indole-3-carbonitrile Formula: C17H21N5+2 MolecularWeight: 295.38214

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C[NH+]3CC[NH+](CC3)CC#N)C#N

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C[NH+]3CC[NH+](CC3)CC#N)C#N

InChI

InChI=1S/C17H19N5/c1-20-16-5-3-2-4-14(16)15(12-19)17(20)13-22-10-8-21(7-6-18)9-11-22/h2-5H,7-11,13H2,1H3/p+2