N-[3-(2-azanyl-3-methyl-1H-imidazol-3-ium-4-yl)propyl]-4-bromanyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[3-(2-azanyl-3-methyl-1H-imidazol-3-ium-4-yl)propyl]-4-bromanyl-1H-pyrrole-2-carboxamide Openeye Name: N-[3-(2-amino-3-methyl-1H-imidazol-3-ium-4-yl)propyl]-4-bromo-1H-pyrrole-2-carboxamide CAS Name: N-[3-(2-amino-3-methyl-1H-imidazol-3-ium-4-yl)propyl]-4-bromo-1H-pyrrole-2-carboxamide IUPAC Name: N-[3-(2-amino-3-methyl-1H-imidazol-3-ium-4-yl)propyl]-4-bromo-1H-pyrrole-2-carboxamide Traditional Name: N-[3-(2-amino-3-methyl-1H-imidazol-3-ium-4-yl)propyl]-4-bromo-1H-pyrrole-2-carboxamide Formula: C12H17BrN5O+ MolecularWeight: 327.20028

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1CCCNC(=O)C2=CC(=CN2)Br)N

Isomeric SMILES

C[N+]1=C(NC=C1CCCNC(=O)C2=CC(=CN2)Br)N

InChI

InChI=1S/C12H16BrN5O/c1-18-9(7-17-12(18)14)3-2-4-15-11(19)10-5-8(13)6-16-10/h5-7H,2-4H2,1H3,(H4,14,15,16,17,19)/p+1