4-[[4-(3-azanylpyrazin-2-yl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-azanylpyrazin-2-yl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-aminopyrazine-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-amino-2-pyrazinyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-aminopyrazine-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-aminopyrazinoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C17H19N6O+ MolecularWeight: 323.37236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=NC=CN=C3N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=NC=CN=C3N

InChI

InChI=1S/C17H18N6O/c18-11-13-1-3-14(4-2-13)12-22-7-9-23(10-8-22)17(24)15-16(19)21-6-5-20-15/h1-6H,7-10,12H2,(H2,19,21)/p+1