2-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Openeye Name: 2-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile CAS Name: 2-[[4-(2-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Traditional Name: 2-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Formula: C20H20N5O2+ MolecularWeight: 362.4051

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN3C=CC=CC3=C2C#N)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN3C=CC=CC3=C2C#N)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O2/c21-13-17-16(15-24-8-4-3-5-18(17)24)14-22-9-11-23(12-10-22)19-6-1-2-7-20(19)25(26)27/h1-8,15H,9-12,14H2/p+1