2-piperazin-4-ium-1-yl-6-pyrrol-1-yl-benzenecarbonitrile

Systemtic Name: 2-piperazin-4-ium-1-yl-6-pyrrol-1-yl-benzenecarbonitrile Openeye Name: 2-piperazin-4-ium-1-yl-6-pyrrol-1-yl-benzonitrile CAS Name: 2-(1-piperazin-4-iumyl)-6-(1-pyrrolyl)benzonitrile IUPAC Name: 2-piperazin-4-ium-1-yl-6-pyrrol-1-ylbenzonitrile Traditional Name: 2-piperazin-4-ium-1-yl-6-pyrrol-1-yl-benzonitrile Formula: C15H17N4+ MolecularWeight: 253.32228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=CC(=C2C#N)N3C=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=CC(=C2C#N)N3C=CC=C3

InChI

InChI=1S/C15H16N4/c16-12-13-14(18-8-1-2-9-18)4-3-5-15(13)19-10-6-17-7-11-19/h1-5,8-9,17H,6-7,10-11H2/p+1