3-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]propanenitrile Openeye Name: 3-[3-(p-tolyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]propanenitrile CAS Name: 3-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]propanenitrile IUPAC Name: 3-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]propanenitrile Traditional Name: 3-[3-(p-tolyl)-6,7-dihydro-5H-pyrrol[1,2-a]imidazol-1-ium-1-yl]propionitrile Formula: C16H18N3+ MolecularWeight: 252.33422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CCC#N

InChI

InChI=1S/C16H18N3/c1-13-5-7-14(8-6-13)15-12-18(10-3-9-17)16-4-2-11-19(15)16/h5-8,12H,2-4,10-11H2,1H3/q+1