3-azanyl-3-(4-phenylpiperazin-1-ium-1-ylidene)propanenitrile

Systemtic Name: 3-azanyl-3-(4-phenylpiperazin-1-ium-1-ylidene)propanenitrile Openeye Name: 3-amino-3-(4-phenylpiperazin-1-ium-1-ylidene)propanenitrile CAS Name: 3-amino-3-(4-phenyl-1-piperazin-1-iumylidene)propanenitrile IUPAC Name: 3-amino-3-(4-phenylpiperazin-1-ium-1-ylidene)propanenitrile Traditional Name: 3-amino-3-(4-phenylpiperazin-1-ium-1-ylidene)propionitrile Formula: C13H17N4+ MolecularWeight: 229.30088

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(CC#N)N)CCN1C2=CC=CC=C2

Isomeric SMILES

C1C[N+](=C(CC#N)N)CCN1C2=CC=CC=C2

InChI

InChI=1S/C13H16N4/c14-7-6-13(15)17-10-8-16(9-11-17)12-4-2-1-3-5-12/h1-5,15H,6,8-11H2/p+1