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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)carbonylbenzenecarbonitrile Openeye Name: 4-(4-methylpiperazin-4-ium-1-carbonyl)benzonitrile CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]benzonitrile IUPAC Name: 4-(4-methylpiperazin-4-ium-1-carbonyl)benzonitrile Traditional Name: 4-(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=C(C=C2)C#N

Isomeric SMILES

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

InChI

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