ethyl 2-azanyl-5-[1-(phenylmethyl)pyridin-1-ium-2-yl]-1H-pyrrole-3-carboxylate bromide

Systemtic Name: ethyl 2-azanyl-5-[1-(phenylmethyl)pyridin-1-ium-2-yl]-1H-pyrrole-3-carboxylate bromide Openeye Name: ethyl 2-amino-5-(1-benzylpyridin-1-ium-2-yl)-1H-pyrrole-3-carboxylate bromide CAS Name: 2-amino-5-[1-(phenylmethyl)-2-pyridin-1-iumyl]-1H-pyrrole-3-carboxylic acid ethyl ester bromide IUPAC Name: ethyl 2-amino-5-(1-benzylpyridin-1-ium-2-yl)-1H-pyrrole-3-carboxylate bromide Traditional Name: 2-amino-5-(1-benzylpyridin-1-ium-2-yl)-1H-pyrrole-3-carboxylic acid ethyl ester bromide Formula: C19H20BrN3O2 MolecularWeight: 402.285

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1)C2=CC=CC=[N+]2CC3=CC=CC=C3)N.[Br-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1)C2=CC=CC=[N+]2CC3=CC=CC=C3)N.[Br-]

InChI

InChI=1S/C19H19N3O2.BrH/c1-2-24-19(23)15-12-16(21-18(15)20)17-10-6-7-11-22(17)13-14-8-4-3-5-9-14;/h3-12H,2,13H2,1H3,(H2,20,21);1H