2-(5-azanyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-methylphenyl)ethanone

Systemtic Name: 2-(5-azanyl-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-methylphenyl)ethanone Openeye Name: 2-(5-amino-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(p-tolyl)ethanone CAS Name: 2-(5-amino-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-methylphenyl)ethanone IUPAC Name: 2-(5-amino-3,4-dihydro-2H-pyrrol-1-ium-1-yl)-1-(4-methylphenyl)ethanone Traditional Name: 2-(2-amino-1-pyrrolin-1-ium-1-yl)-1-(p-tolyl)ethanone Formula: C13H17N2O+ MolecularWeight: 217.28688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]2=C(CCC2)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=C(CCC2)N

InChI

InChI=1S/C13H16N2O/c1-10-4-6-11(7-5-10)12(16)9-15-8-2-3-13(15)14/h4-7,14H,2-3,8-9H2,1H3/p+1