4-(piperazin-4-ium-1-ylmethyl)benzenecarbonitrile

Systemtic Name: 4-(piperazin-4-ium-1-ylmethyl)benzenecarbonitrile Openeye Name: 4-(piperazin-4-ium-1-ylmethyl)benzonitrile CAS Name: 4-(1-piperazin-4-iumylmethyl)benzonitrile IUPAC Name: 4-(piperazin-4-ium-1-ylmethyl)benzonitrile Traditional Name: 4-(piperazin-4-ium-1-ylmethyl)benzonitrile Formula: C12H16N3+ MolecularWeight: 202.27554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H15N3/c13-9-11-1-3-12(4-2-11)10-15-7-5-14-6-8-15/h1-4,14H,5-8,10H2/p+1