ethyl 4-(2-isoquinolin-2-ium-2-ylethanoylamino)benzoate

Systemtic Name: ethyl 4-(2-isoquinolin-2-ium-2-ylethanoylamino)benzoate Openeye Name: ethyl 4-[(2-isoquinolin-2-ium-2-ylacetyl)amino]benzoate CAS Name: 4-[[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-isoquinolin-2-ium-2-ylacetyl)amino]benzoate Traditional Name: 4-[(2-isoquinolin-2-ium-2-ylacetyl)amino]benzoic acid ethyl ester Formula: C20H19N2O3+ MolecularWeight: 335.37646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H18N2O3/c1-2-25-20(24)16-7-9-18(10-8-16)21-19(23)14-22-12-11-15-5-3-4-6-17(15)13-22/h3-13H,2,14H2,1H3/p+1