3-(4-methylpiperazin-4-ium-1-yl)carbonylbenzenecarbonitrile

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)carbonylbenzenecarbonitrile Openeye Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)benzonitrile CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]benzonitrile IUPAC Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)benzonitrile Traditional Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)benzonitrile Formula: C13H16N3O+ MolecularWeight: 230.28564

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H15N3O/c1-15-5-7-16(8-6-15)13(17)12-4-2-3-11(9-12)10-14/h2-4,9H,5-8H2,1H3/p+1