2-azanyl-5-phenyl-benzenecarbonitrile; 1-methylpiperazin-1-ium-1-carboxamide

Systemtic Name: 2-azanyl-5-phenyl-benzenecarbonitrile; 1-methylpiperazin-1-ium-1-carboxamide Openeye Name: 2-amino-5-phenyl-benzonitrile; 1-methylpiperazin-1-ium-1-carboxamide CAS Name: 2-amino-5-phenylbenzonitrile; 1-methyl-1-piperazin-1-iumcarboxamide IUPAC Name: 2-amino-5-phenylbenzonitrile; 1-methylpiperazin-1-ium-1-carboxamide Traditional Name: 2-amino-5-phenyl-benzonitrile; 1-methylpiperazin-1-ium-1-carboxamide Formula: C19H24N5O+ MolecularWeight: 338.42676

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)C(=O)N.C1=CC=C(C=C1)C2=CC(=C(C=C2)N)C#N

Isomeric SMILES

C[N+]1(CCNCC1)C(=O)N.C1=CC=C(C=C1)C2=CC(=C(C=C2)N)C#N

InChI

InChI=1S/C13H10N2.C6H13N3O/c14-9-12-8-11(6-7-13(12)15)10-4-2-1-3-5-10;1-9(6(7)10)4-2-8-3-5-9/h1-8H,15H2;8H,2-5H2,1H3,(H-,7,10)/p+1