1-(3-bromophenyl)-3-cyano-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide

Systemtic Name: 1-(3-bromophenyl)-3-cyano-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide Openeye Name: 1-(3-bromophenyl)-3-cyano-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide CAS Name: 1-(3-bromophenyl)-3-cyano-N-[2-(4-morpholin-4-iumyl)ethyl]-2-pyrrolecarboxamide IUPAC Name: 1-(3-bromophenyl)-3-cyano-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide Traditional Name: 1-(3-bromophenyl)-3-cyano-N-(2-morpholin-4-ium-4-ylethyl)pyrrole-2-carboxamide Formula: C18H20BrN4O2+ MolecularWeight: 404.281

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=C(C=CN2C3=CC(=CC=C3)Br)C#N

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=C(C=CN2C3=CC(=CC=C3)Br)C#N

InChI

InChI=1S/C18H19BrN4O2/c19-15-2-1-3-16(12-15)23-6-4-14(13-20)17(23)18(24)21-5-7-22-8-10-25-11-9-22/h1-4,6,12H,5,7-11H2,(H,21,24)/p+1