ethyl 4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)benzoate

Systemtic Name: ethyl 4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)benzoate Openeye Name: ethyl 4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)benzoate CAS Name: 4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)benzoic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)benzoate Traditional Name: 4-(1-pyrrolin-1-ium-2-ylamino)benzoic acid ethyl ester Formula: C13H17N2O2+ MolecularWeight: 233.28628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=[NH+]CCC2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=[NH+]CCC2

InChI

InChI=1S/C13H16N2O2/c1-2-17-13(16)10-5-7-11(8-6-10)15-12-4-3-9-14-12/h5-8H,2-4,9H2,1H3,(H,14,15)/p+1