4-bromanyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-bromanyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-bromo-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1H-pyrrole-2-carboxamide CAS Name: 4-bromo-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-bromo-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-bromo-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1H-pyrrole-2-carboxamide Formula: C17H22BrN4O+ MolecularWeight: 378.28678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC(=CN3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC(=CN3)Br

InChI

InChI=1S/C17H21BrN4O/c1-12-9-14(22-7-5-21(2)6-8-22)3-4-15(12)20-17(23)16-10-13(18)11-19-16/h3-4,9-11,19H,5-8H2,1-2H3,(H,20,23)/p+1